UCSF

ZINC32902724

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2009 22 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) 1.94 2.75 -14.46 1 6 0 79 346.405 6
Mid Mid (pH 6-8) 2.39 1.65 -40.18 0 6 -1 83 345.397 6

Activity (Go SEA)

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