UCSF

ZINC34937074

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 15 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) 2.48 6.17 -7.79 0 2 0 27 243.137 4
Mid Mid (pH 6-8) 2.48 8.51 -57.05 1 2 1 28 244.145 4

Activity (Go SEA)

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