UCSF

ZINC41680788

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 19 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) 0.91 2.95 -16.23 1 6 0 96 282.321 7
Hi High (pH 8-9.5) 0.91 3.12 -51.96 0 6 -1 98 281.313 7

Activity (Go SEA)

Rings

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