UCSF

ZINC21955981

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 18 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) 2.13 3.61 -37.49 2 4 1 38 253.366 7
Hi High (pH 8-9.5) 2.13 2.4 -4.73 1 4 0 34 252.358 7
Mid Mid (pH 6-8) 2.13 5.87 -110.17 3 4 2 40 254.374 7
Mid Mid (pH 6-8) 2.13 4.99 -36.62 2 4 1 35 253.366 7

Activity (Go SEA)

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