UCSF

ZINC41685169

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 0.66 3.55 -53.33 2 7 1 95 277.304 8
Hi High (pH 8-9.5) 0.66 2.2 -13.26 1 7 0 90 276.296 8
Lo Low (pH 4.5-6) 0.66 4.1 -99.48 3 7 2 96 278.312 8

Activity (Go SEA)

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