UCSF

ZINC06623185

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 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) 4.30 7.52 -45.9 0 4 -1 61 383.396 5
Mid Mid (pH 6-8) 5.23 7.76 -13.49 1 4 0 62 384.404 4

Activity (Go SEA)

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