UCSF

ZINC37995954

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 21 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) 1.29 4.66 -49.39 4 5 1 72 285.371 4
Mid Mid (pH 6-8) 1.29 5.1 -90.84 5 5 2 74 286.379 4

Activity (Go SEA)

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