UCSF

ZINC08494106

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2006 16 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.68 2.35 -7.48 3 5 0 77 220.228 3
Mid Mid (pH 6-8) 1.14 1.86 -31.58 3 5 1 76 221.236 3
Mid Mid (pH 6-8) 1.14 1.86 -31.58 3 5 1 76 221.236 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )