UCSF

ZINC45665986

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 1.53 4.39 -105.27 4 3 2 35 229.412 7
Hi High (pH 8-9.5) 1.53 1.9 -42.15 3 3 1 34 228.404 7
Lo Low (pH 4.5-6) 1.53 5.99 -218.98 5 3 3 37 230.42 7

Activity (Go SEA)

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