UCSF

ZINC20524762

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 19 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) 3.03 8.4 -111.04 3 3 2 30 272.477 8
Hi High (pH 8-9.5) 3.03 8.02 -31.37 2 3 1 26 271.469 8
Mid Mid (pH 6-8) 3.03 5.73 -33.04 2 3 1 29 271.469 8

Activity (Go SEA)

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