UCSF

ZINC43970421

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 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) 3.17 8.13 -28.99 2 3 1 29 291.459 8
Mid Mid (pH 6-8) 3.17 7.79 -1.05 1 3 0 24 290.451 8
Mid Mid (pH 6-8) 3.17 8.25 -30 2 3 1 26 291.459 8

Activity (Go SEA)

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