UCSF

ZINC00804152

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 25 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) 2.99 5.62 -10.84 2 7 0 127 339.399 3
Mid Mid (pH 6-8) 3.08 2.05 -42.12 2 7 1 126 340.407 3

Activity (Go SEA)

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