UCSF

ZINC34874452

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 35 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) 5.89 14.03 -12.04 1 4 0 55 457.577 7
Lo Low (pH 4.5-6) 5.89 14.5 -42.9 2 4 1 56 458.585 7

Activity (Go SEA)

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