UCSF

ZINC44119404

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 16 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) 1.96 6.58 -7.74 2 3 0 52 211.268 2
Lo Low (pH 4.5-6) 1.96 6.81 -24.92 3 3 1 53 212.276 2

Activity (Go SEA)

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