UCSF

ZINC20189603

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 2.99 6.62 -36.11 2 3 1 30 302.236 5
Mid Mid (pH 6-8) 2.99 5.62 -43.02 2 3 1 33 302.236 5
Lo Low (pH 4.5-6) 2.99 7.91 -110.32 3 3 2 34 303.244 5

Activity (Go SEA)

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