UCSF

ZINC44514843

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 16 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) -1.41 -1.21 -51.97 5 7 1 109 226.26 2
Mid Mid (pH 6-8) -0.95 -2.9 -70.67 4 7 0 113 225.252 2

Activity (Go SEA)

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