UCSF

ZINC35220117

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 17 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) 0.00 0.29 -13.44 1 7 0 97 280.327 5
Mid Mid (pH 6-8) 0.46 -1.99 -48.82 0 7 -1 100 279.319 5

Activity (Go SEA)

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