UCSF

ZINC37841003

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) 0.04 0.29 -10.3 1 6 0 69 270.358 3
Mid Mid (pH 6-8) 0.04 2.43 -45.23 2 6 1 70 271.366 3

Activity (Go SEA)

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