UCSF

ZINC37085341

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) 1.92 6.71 -52.19 2 4 1 67 233.291 5
Mid Mid (pH 6-8) 1.92 5.5 -8.98 1 4 0 62 232.283 5

Activity (Go SEA)

Rings

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