UCSF

ZINC45695803

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 18 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) 1.83 3.49 -42.41 3 4 1 55 262.414 11
Hi High (pH 8-9.5) 1.83 2.22 -4.89 2 4 0 51 261.406 11

Activity (Go SEA)

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