UCSF

ZINC34656031

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 19 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) 2.45 7.05 -97.3 3 4 2 40 268.401 9
Hi High (pH 8-9.5) 2.45 4.55 -34.35 2 4 1 38 267.393 9

Activity (Go SEA)

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