UCSF

ZINC19399960

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 18 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) 1.46 4.12 -8.23 0 4 0 36 267.76 3
Mid Mid (pH 6-8) 1.46 6.33 -47.54 1 4 1 38 268.768 3

Activity (Go SEA)

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