UCSF

ZINC36790468

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 17 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) 1.67 7.72 -34.42 3 2 1 30 235.395 6
Mid Mid (pH 6-8) 1.67 8.03 -124.43 4 2 2 32 236.403 6

Activity (Go SEA)

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