UCSF

ZINC34681752

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 31 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) 4.30 14.26 -44.07 2 5 1 50 415.561 6
Lo Low (pH 4.5-6) 4.30 14.62 -99.85 3 5 2 51 416.569 6

Activity (Go SEA)

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