UCSF

ZINC34935016

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 38 No

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) 4.02 9.05 -63.31 0 8 -1 91 513.57 9
Mid Mid (pH 6-8) 4.02 11.33 -80.26 1 8 0 93 514.578 9
Lo Low (pH 4.5-6) 4.02 10.58 -60.89 2 8 1 90 515.586 9

Activity (Go SEA)

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