UCSF

ZINC33010259

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2009 31 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) 4.85 10.38 -49.69 1 6 -1 85 420.464 4
Mid Mid (pH 6-8) 4.85 10.62 -43.57 2 6 0 87 421.472 4

Activity (Go SEA)

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