UCSF

ZINC36924202

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 21 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) 2.84 7.21 -39.24 2 4 1 46 358.3 7
Hi High (pH 8-9.5) 2.84 7.34 -8.07 1 4 0 42 357.292 7

Activity (Go SEA)

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