UCSF

ZINC36804618

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 13 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) 1.43 6.2 -101.91 3 3 2 36 183.299 5
Hi High (pH 8-9.5) 1.43 4.7 -5.39 1 3 0 30 181.283 5
Mid Mid (pH 6-8) 1.43 5.74 -38.7 2 3 1 34 182.291 5

Activity (Go SEA)

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