UCSF

ZINC36191176

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) 1.22 4.46 -40.33 4 5 1 62 288.419 4
Mid Mid (pH 6-8) 1.22 4.88 -74.43 5 5 2 64 289.427 4
Lo Low (pH 4.5-6) 1.22 7.13 -180.92 6 5 3 65 290.435 4

Activity (Go SEA)

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