UCSF

ZINC37849011

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 1.11 2.7 -44.77 3 4 1 55 272.39 8
Mid Mid (pH 6-8) 1.11 1.27 -9.05 2 4 0 51 271.382 8

Activity (Go SEA)

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