UCSF

ZINC44804547

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2010 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) 1.35 2.8 -46.42 3 4 1 51 256.414 5
Mid Mid (pH 6-8) 1.35 4.86 -101.33 4 4 2 52 257.422 5

Activity (Go SEA)

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