UCSF

ZINC37292742

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 2.75 8.39 -34.35 2 3 1 26 352.296 2
Mid Mid (pH 6-8) 2.75 7.02 -39.42 2 3 1 29 352.296 2
Lo Low (pH 4.5-6) 2.75 9.27 -117.17 3 3 2 30 353.304 2

Activity (Go SEA)

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