UCSF

ZINC37025140

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 1.73 5.33 -46.54 4 5 1 73 279.408 7
Hi High (pH 8-9.5) 1.73 5.03 -7.3 3 5 0 71 278.4 7
Mid Mid (pH 6-8) 1.73 5.67 -90.35 5 5 2 74 280.416 7

Activity (Go SEA)

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