UCSF

ZINC20382994

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 30 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) 2.07 6.18 -16.35 1 7 0 67 432.59 7
Mid Mid (pH 6-8) 2.07 8.47 -52.87 2 7 1 68 433.598 7

Activity (Go SEA)

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