UCSF

ZINC20354622

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 27 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) 0.72 5.81 -20.95 0 7 0 64 378.517 3
Mid Mid (pH 6-8) 0.72 8.21 -62.45 1 7 1 65 379.525 3

Activity (Go SEA)

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