UCSF

ZINC35765734

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 13 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) 0.28 1.88 -102.54 5 3 2 52 188.315 5
Hi High (pH 8-9.5) 0.28 2.34 -40.11 4 3 1 55 187.307 5
Mid Mid (pH 6-8) 0.28 1.4 -30.95 4 3 1 51 187.307 5

Activity (Go SEA)

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