UCSF

ZINC45698917

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 14 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) 0.30 3.67 -95.63 4 4 2 50 203.33 8
Hi High (pH 8-9.5) 0.30 2.3 -38.94 3 4 1 46 202.322 8

Activity (Go SEA)

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