UCSF

ZINC37241180

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 3.89 8.12 -33.14 2 2 1 16 277.476 4
Hi High (pH 8-9.5) 3.89 6.43 -0.13 1 2 0 15 276.468 4
Lo Low (pH 4.5-6) 3.89 9.3 -114.49 3 2 2 21 278.484 4
Lo Low (pH 4.5-6) 3.89 7.61 -37.53 2 2 1 20 277.476 4

Activity (Go SEA)

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