UCSF

ZINC20245009

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 15 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) 0.53 1.29 -51.11 1 5 -1 86 232.212 4
Hi High (pH 8-9.5) 0.53 1.35 -110.24 0 5 -2 88 231.204 4

Activity (Go SEA)

Rings

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