UCSF

ZINC37025235

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 16 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) 0.71 4.17 -46.54 3 3 1 46 224.324 6
Hi High (pH 8-9.5) 0.71 3.84 -4.5 2 3 0 44 223.316 6

Activity (Go SEA)

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