UCSF

ZINC22937601

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.93 7.45 -33.91 1 4 1 26 313.506 9
Mid Mid (pH 6-8) 3.93 6.91 -2.18 0 4 0 25 312.498 9
Lo Low (pH 4.5-6) 3.92 8.64 -111.14 2 4 2 27 314.514 9

Activity (Go SEA)

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