UCSF

ZINC45685622

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 2.49 7.65 -36.48 2 3 1 43 258.288 7
Mid Mid (pH 6-8) 2.49 6.72 -6.66 1 3 0 38 257.28 7

Activity (Go SEA)

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