UCSF

ZINC33921136

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 18 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) -1.14 -0.01 -16 3 6 0 93 247.254 4
Mid Mid (pH 6-8) -1.14 1.26 -55.39 4 6 1 97 248.262 4

Activity (Go SEA)

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