UCSF

ZINC02793764

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 20 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) 5.48 0.88 -8.69 1 3 0 38 350.203 8

Activity (Go SEA)

Rings

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