UCSF

ZINC04941094

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 26 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) 2.08 0.59 -12.02 1 8 0 99 372.406 7
Lo Low (pH 4.5-6) 2.08 1.06 -46.28 2 8 1 101 373.414 7

Activity (Go SEA)

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