UCSF

ZINC46034709

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2010 21 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) 1.82 5.15 -46.33 2 5 1 68 311.427 6
Hi High (pH 8-9.5) 1.82 2.85 -14.72 1 5 0 66 310.419 6

Activity (Go SEA)

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