UCSF

ZINC30109005

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2009 28 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) 3.08 8 -13.6 0 6 0 51 384.476 7
Mid Mid (pH 6-8) 3.08 10.33 -48.88 1 6 1 52 385.484 7

Activity (Go SEA)

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