UCSF

ZINC00067676

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 18 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) 1.84 6.34 -32.4 1 5 1 52 245.306 2
Hi High (pH 8-9.5) 1.84 3.96 -8.67 0 5 0 51 244.298 2

Activity (Go SEA)

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