UCSF

ZINC41042616

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 12 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) -0.49 0.45 -107.15 5 3 2 52 174.288 3
Hi High (pH 8-9.5) -0.49 0.05 -30.26 4 3 1 51 173.28 3

Activity (Go SEA)

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