UCSF

ZINC31829433

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 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) 0.68 3.97 -41.33 4 3 1 61 203.265 3
Hi High (pH 8-9.5) 0.68 3.62 -11.21 3 3 0 59 202.257 3

Activity (Go SEA)

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