UCSF

ZINC36876203

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 1.01 4.06 -102.24 5 4 2 67 233.315 5
Mid Mid (pH 6-8) 1.01 3.62 -49.36 4 4 1 66 232.307 5

Activity (Go SEA)

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