UCSF

ZINC14169570

Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2008 28 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) 2.04 8.11 -12.93 0 6 0 49 380.492 6
Mid Mid (pH 6-8) 2.04 10.41 -50.31 1 6 1 50 381.5 6

Activity (Go SEA)

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