UCSF

ZINC69490683

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 16 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) 1.40 4.01 -5.02 0 3 0 25 220.316 3
Mid Mid (pH 6-8) 1.40 6.2 -40.75 1 3 1 27 221.324 3

Activity (Go SEA)

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