UCSF

ZINC51958492

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2010 28 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) 1.84 8.77 -40.39 1 6 1 40 389.564 7
Mid Mid (pH 6-8) 1.84 6.57 -10.29 0 6 0 39 388.556 7
Mid Mid (pH 6-8) 1.84 10.84 -101.07 2 6 2 42 390.572 7
Mid Mid (pH 6-8) 1.84 8.64 -42.57 1 6 1 40 389.564 7
Lo Low (pH 4.5-6) 1.84 11.58 -98.21 3 6 0 43 391.58 7

Activity (Go SEA)

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