UCSF

ZINC35777221

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 20 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) 1.98 5.19 -53.39 0 5 -1 66 274.296 3
Mid Mid (pH 6-8) 1.98 7.39 -42.93 1 5 0 67 275.304 3

Activity (Go SEA)

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