UCSF

ZINC22746460

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 21 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) 3.11 8.28 -20.3 1 5 0 64 305.403 6
Mid Mid (pH 6-8) 3.29 7.21 -48.57 0 5 -1 70 304.395 6

Activity (Go SEA)

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