UCSF

ZINC44647048

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 13 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) 1.51 3.51 -39.43 3 3 1 46 185.291 5
Hi High (pH 8-9.5) 1.51 2.14 -6.81 2 3 0 41 184.283 5

Activity (Go SEA)

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