UCSF

ZINC01256758

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2004 20 No

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) 1.00 0.2 -30.04 2 6 -1 101 276.247 3
Mid Mid (pH 6-8) 0.48 1.76 -10.82 3 6 0 95 277.255 3

Activity (Go SEA)

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