UCSF

ZINC24864385

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 25 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) 3.55 8.29 -9.64 1 5 0 51 348.487 8
Mid Mid (pH 6-8) 3.55 8.73 -42.99 2 5 1 52 349.495 8

Activity (Go SEA)

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