UCSF

ZINC36353195

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 27 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) 2.66 7.58 -57.02 1 7 -1 100 362.365 4
Ref Reference (pH 7) 2.47 10.25 -57.92 1 7 -1 96 362.365 4
Mid Mid (pH 6-8) 2.47 10.71 -79.83 2 7 0 98 363.373 4

Activity (Go SEA)

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