UCSF

ZINC19939946

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 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) 3.24 8.11 -7.28 0 3 0 24 286.419 3
Mid Mid (pH 6-8) 3.24 10.38 -45.59 1 3 1 25 287.427 3

Activity (Go SEA)

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