UCSF

ZINC45689777

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) 2.86 7.1 -36.57 2 2 1 20 257.348 7
Mid Mid (pH 6-8) 2.86 7.61 -38 2 2 1 16 257.348 7

Activity (Go SEA)

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