UCSF

ZINC55668716

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2010 15 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) 1.55 7.01 -43.78 1 3 1 25 211.329 3
Mid Mid (pH 6-8) 1.55 4.79 -6.97 0 3 0 24 210.321 3

Activity (Go SEA)

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