UCSF

ZINC13366958

Substance Information

In ZINC since Heavy atoms Benign functionality
June 17th, 2008 23 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) -0.04 1.01 -19.37 3 7 0 117 318.281 3
Hi High (pH 8-9.5) -0.04 2 -70.12 2 7 -1 120 317.273 3

Activity (Go SEA)

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