UCSF

ZINC37000848

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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) 2.92 9.38 -41.88 2 3 1 34 349.296 4
Mid Mid (pH 6-8) 2.92 8.52 -6.17 1 3 0 30 348.288 4
Lo Low (pH 4.5-6) 2.92 9.54 -102.51 3 3 2 36 350.304 4

Activity (Go SEA)

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