UCSF

ZINC14193330

Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2008 25 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) 4.14 12.64 -28.32 1 3 1 22 328.439 6
Mid Mid (pH 6-8) 4.14 11.91 -11.3 0 3 0 21 327.431 6
Lo Low (pH 4.5-6) 4.14 14.43 -34.16 1 3 1 22 328.439 6

Activity (Go SEA)

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