UCSF

ZINC61374869

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 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) 2.30 4.63 -43.52 2 3 1 29 302.236 8
Hi High (pH 8-9.5) 2.30 3.27 -3.76 1 3 0 24 301.228 8
Lo Low (pH 4.5-6) 2.30 6.98 -117.72 3 3 2 30 303.244 8

Activity (Go SEA)

Rings

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