UCSF

ZINC12231957

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 26 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) 1.21 4.12 -13.48 0 10 0 106 360.374 4
Mid Mid (pH 6-8) 1.21 4.31 -35.05 1 10 1 107 361.382 4

Activity (Go SEA)

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