UCSF

ZINC27519521

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 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) 0.95 10.42 -100.05 2 7 0 91 431.508 8
Mid Mid (pH 6-8) -1.80 9.46 -69.63 3 7 1 94 432.516 7

Activity (Go SEA)

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