UCSF

ZINC22924966

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 38 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) 6.30 15.87 -40.59 2 4 1 33 502.682 8
Mid Mid (pH 6-8) 6.30 13.49 -7.48 1 4 0 32 501.674 8

Activity (Go SEA)

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