UCSF

ZINC36887797

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 18 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) 0.79 5.78 -79.97 5 4 2 59 252.337 3
Mid Mid (pH 6-8) 0.79 3.56 -36.15 4 4 1 58 251.329 3

Activity (Go SEA)

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