UCSF

ZINC49590234

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 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) 1.80 3.36 -43.95 1 7 -1 95 270.272 3
Mid Mid (pH 6-8) 1.62 4.23 -41.64 1 7 -1 91 270.272 3
Lo Low (pH 4.5-6) 1.62 5.77 -38.17 3 7 1 90 272.288 3
Lo Low (pH 4.5-6) 1.62 6.47 -32.07 3 7 1 90 272.288 3

Activity (Go SEA)

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