UCSF

ZINC69701357

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 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) 3.26 8.6 -37.3 1 3 1 17 291.459 8
Hi High (pH 8-9.5) 3.26 6.34 -3.48 0 3 0 16 290.451 8
Mid Mid (pH 6-8) 3.26 8.57 -31.45 1 3 1 17 291.459 8

Activity (Go SEA)

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