UCSF

ZINC32106291

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 22 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) 1.82 4.15 -14.17 3 7 0 107 322.39 7
Mid Mid (pH 6-8) 1.82 4.19 -49.45 2 7 -1 109 321.382 7

Activity (Go SEA)

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