UCSF

ZINC36890207

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 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) 1.40 3.45 -41.23 3 3 1 50 237.348 5
Hi High (pH 8-9.5) 1.40 3.12 -6.38 2 3 0 48 236.34 5

Activity (Go SEA)

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