UCSF

ZINC19362154

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 23 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) 2.23 7.92 -42.68 1 4 1 30 312.437 6
Mid Mid (pH 6-8) 2.23 7.91 -42.18 1 4 1 30 312.437 6
Mid Mid (pH 6-8) 2.23 5.59 -6.42 0 4 0 29 311.429 6
Lo Low (pH 4.5-6) 2.23 8.32 -88.79 2 4 2 31 313.445 6

Activity (Go SEA)

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