UCSF

ZINC36746800

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 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) 0.97 3.19 -54.79 4 6 1 106 238.267 6
Mid Mid (pH 6-8) 0.97 2.2 -14.84 3 6 0 101 237.259 6

Activity (Go SEA)

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