UCSF

ZINC34670501

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 28 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) 3.40 9.73 -10.21 0 4 0 33 384.495 7
Lo Low (pH 4.5-6) 3.40 12.12 -44.46 1 4 1 34 385.503 7

Activity (Go SEA)

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