UCSF

ZINC19624411

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 23 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) 0.66 5.12 -65.53 2 6 -1 99 332.405 3
Mid Mid (pH 6-8) 0.66 5.5 -74.97 3 6 0 101 333.413 3

Activity (Go SEA)

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