UCSF

ZINC32088212

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 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) 2.04 0.73 -18.41 2 7 0 102 374.415 6
Mid Mid (pH 6-8) 2.04 0.8 -50 1 7 -1 104 373.407 6

Activity (Go SEA)

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