UCSF

ZINC22925814

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 26 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) 3.38 4.1 -7.67 2 4 0 47 362.42 4
Mid Mid (pH 6-8) 3.38 6.82 -108.92 4 4 2 49 364.436 4
Lo Low (pH 4.5-6) 3.38 6.35 -36.35 3 4 1 48 363.428 4

Activity (Go SEA)

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