UCSF

ZINC53114051

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 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) 1.15 4.02 -27.93 3 4 1 51 252.382 5
Hi High (pH 8-9.5) 1.15 3.3 -9.7 2 4 0 50 251.374 5
Mid Mid (pH 6-8) 1.15 4.49 -37.31 3 4 1 55 252.382 5
Mid Mid (pH 6-8) 1.15 5 -100.91 4 4 2 56 253.39 5

Activity (Go SEA)

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