UCSF

ZINC13567267

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 31 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) 4.63 7.16 -41.23 1 7 -1 96 456.931 6
Mid Mid (pH 6-8) 4.17 8.97 -13.62 2 7 0 93 457.939 6
Mid Mid (pH 6-8) 4.17 8.43 -18.96 2 7 0 93 457.939 6

Activity (Go SEA)

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