UCSF

ZINC44257654

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 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) 1.04 1.98 -45.1 2 5 1 63 321.22 3
Mid Mid (pH 6-8) 1.04 1.75 -36.91 1 5 0 66 320.212 3

Activity (Go SEA)

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