UCSF

ZINC41204716

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 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) 3.18 8.35 -35.67 2 3 1 37 283.461 7
Hi High (pH 8-9.5) 3.18 7.37 -9.08 1 3 0 32 282.453 7

Activity (Go SEA)

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