UCSF

ZINC27208374

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2009 17 No

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) 0.65 4.62 -43.2 3 6 1 93 238.267 6
Mid Mid (pH 6-8) 0.65 2.53 -14.97 2 6 0 92 237.259 6

Activity (Go SEA)

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