UCSF

ZINC36619566

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 26 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) 1.40 1.23 -41.92 2 8 -1 115 368.398 2
Mid Mid (pH 6-8) 1.86 -1.34 -117.38 1 8 -2 118 367.39 2
Mid Mid (pH 6-8) 1.40 1.28 -40.72 2 8 -1 115 368.398 2
Lo Low (pH 4.5-6) 0.88 2.66 -8.9 3 8 0 109 369.406 1

Activity (Go SEA)

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