UCSF

ZINC36682807

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 21 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) 1.68 2.2 -51.71 4 5 1 83 311.358 6
Hi High (pH 8-9.5) 1.68 1.82 -46.54 2 5 -1 83 309.342 6
Mid Mid (pH 6-8) 1.68 2.25 -59.39 3 5 0 85 310.35 6

Activity (Go SEA)

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