UCSF

ZINC33040301

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2009 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) 2.28 7.1 -11.85 1 4 0 45 255.321 3
Lo Low (pH 4.5-6) 2.28 7.53 -44.12 2 4 1 46 256.329 3

Activity (Go SEA)

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