UCSF

ZINC36786956

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 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) 1.69 5.01 -131.03 4 4 2 51 280.412 5
Hi High (pH 8-9.5) 1.69 6.08 -31.97 3 4 1 49 279.404 5
Mid Mid (pH 6-8) 1.69 4.39 -46.75 3 4 1 49 279.404 5

Activity (Go SEA)

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