UCSF

ZINC20997144

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 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) 1.41 4.93 -42.62 3 4 1 55 245.331 3
Mid Mid (pH 6-8) 1.41 4.1 -11.65 2 4 0 54 244.323 3

Activity (Go SEA)

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