UCSF

ZINC19834002

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 16 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) 0.89 2.21 -51.29 4 4 1 68 223.296 4
Hi High (pH 8-9.5) 0.89 3.16 -77.07 3 4 0 71 222.288 4

Activity (Go SEA)

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