UCSF

ZINC21054005

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 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) 2.97 4.59 -5.1 1 3 0 24 300.805 6
Mid Mid (pH 6-8) 2.97 6.85 -40.74 2 3 1 26 301.813 6
Lo Low (pH 4.5-6) 2.97 8.19 -123.81 3 3 2 30 302.821 6

Activity (Go SEA)

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