UCSF

ZINC06583912

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2006 17 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) 1.33 2.85 -35 3 4 1 55 238.307 8
Hi High (pH 8-9.5) 1.33 1.43 -7.18 2 4 0 51 237.299 8

Activity (Go SEA)

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