UCSF

ZINC44561387

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2010 15 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) 2.18 6.43 -31.71 2 2 1 20 211.373 4
Hi High (pH 8-9.5) 2.18 7.36 -31.03 2 2 1 16 211.373 4
Mid Mid (pH 6-8) 2.18 8.01 -105.98 3 2 2 21 212.381 4

Activity (Go SEA)

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