UCSF

ZINC36973932

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) -2.09 1.49 -52.83 2 7 -1 115 238.223 3
Mid Mid (pH 6-8) -1.63 -0.87 -104.35 1 7 -2 118 237.215 3

Activity (Go SEA)

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