UCSF

ZINC06753137

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 25 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) 4.64 10.95 -10.81 1 4 0 47 335.451 8
Mid Mid (pH 6-8) 4.64 11.46 -31.82 2 4 1 48 336.459 8

Activity (Go SEA)

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