UCSF

ZINC36882763

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 20 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) 2.14 4.96 -2.67 2 3 0 38 274.408 2
Mid Mid (pH 6-8) 2.14 7.15 -130.64 4 3 2 41 276.424 2
Lo Low (pH 4.5-6) 2.14 6.88 -35.12 3 3 1 40 275.416 2

Activity (Go SEA)

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