UCSF

ZINC45694426

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 15 No

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) -1.16 -0.28 -11.6 2 6 0 85 214.221 6
Mid Mid (pH 6-8) -0.97 -1.6 -52.1 2 6 0 95 214.221 6
Mid Mid (pH 6-8) -1.16 0.95 -59.44 3 6 1 89 215.229 6
Mid Mid (pH 6-8) -1.16 0.95 -59.45 3 6 1 89 215.229 6
Lo Low (pH 4.5-6) -0.97 -1.6 -52.11 2 6 0 95 214.221 6

Activity (Go SEA)

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