UCSF

ZINC20245442

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 17 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) 0.94 2.2 -98.63 0 5 -2 88 263.221 5
Mid Mid (pH 6-8) 0.94 2.13 -49.67 1 5 -1 86 264.229 5

Activity (Go SEA)

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