UCSF

ZINC00578927

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2005 27 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) 2.02 -0.5 -15.1 1 5 0 61 364.424 3
Mid Mid (pH 6-8) 2.02 9.53 -46.43 2 5 1 63 365.432 3
Lo Low (pH 4.5-6) 2.02 -0.25 -106.38 3 5 2 64 366.44 3
Lo Low (pH 4.5-6) 2.02 -0.42 -50.35 2 5 1 63 365.432 3

Activity (Go SEA)

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