UCSF

ZINC36190469

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 21 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) 3.46 10.95 -34.43 1 3 1 21 304.845 3
Mid Mid (pH 6-8) 3.46 8.58 -6.31 0 3 0 19 303.837 3
Lo Low (pH 4.5-6) 3.46 11.4 -85.23 2 3 2 22 305.853 3

Activity (Go SEA)

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