UCSF

ZINC31562276

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 29 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) 3.76 8.18 -11.5 0 6 0 62 390.487 4
Mid Mid (pH 6-8) 3.76 10.39 -48.96 1 6 1 64 391.495 4

Activity (Go SEA)

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