UCSF

ZINC21532958

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 31 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) -0.28 6.08 -20.26 1 9 0 85 428.537 8
Mid Mid (pH 6-8) -0.28 8.41 -58.19 2 9 1 86 429.545 8

Activity (Go SEA)

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