UCSF

ZINC41685708

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 18 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) -1.30 0.82 -52.93 4 7 1 101 260.314 10
Mid Mid (pH 6-8) -1.30 -0.51 -14.53 3 7 0 97 259.306 10

Activity (Go SEA)

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