UCSF

ZINC43429432

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) 0.38 6.87 -46.12 0 6 -1 87 242.251 5
Lo Low (pH 4.5-6) 0.38 4.88 -13.74 1 6 0 84 243.259 5

Activity (Go SEA)

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