UCSF

ZINC19901069

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 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) 2.91 5.8 -37.19 2 3 1 33 253.41 7
Hi High (pH 8-9.5) 2.91 4.73 -3.13 1 3 0 28 252.402 7
Mid Mid (pH 6-8) 2.91 7.85 -110.82 3 3 2 34 254.418 7
Mid Mid (pH 6-8) 2.91 6.56 -34.26 2 3 1 30 253.41 7

Activity (Go SEA)

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