UCSF

ZINC32930059

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2009 24 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) 3.03 5.58 -17.41 2 5 0 75 350.415 7
Mid Mid (pH 6-8) 3.03 5.65 -44.12 1 5 -1 77 349.407 7

Activity (Go SEA)

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