UCSF

ZINC36747574

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 15 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) -0.57 -1.09 -46.26 5 5 1 89 214.289 4
Hi High (pH 8-9.5) -0.57 -2.28 -15.96 4 5 0 84 213.281 4

Activity (Go SEA)

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