UCSF

ZINC19359417

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 22 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) 3.55 8.74 -33.44 1 3 1 17 303.47 4
Hi High (pH 8-9.5) 3.55 6.47 -3.28 0 3 0 16 302.462 4
Mid Mid (pH 6-8) 3.55 8.79 -31.81 1 3 1 17 303.47 4

Activity (Go SEA)

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