UCSF

ZINC52504701

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 14 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) 1.68 3.69 -38.17 2 3 1 29 203.35 8
Hi High (pH 8-9.5) 1.68 2.94 -1.24 1 3 0 24 202.342 8
Mid Mid (pH 6-8) 1.68 3.26 -25.39 2 3 1 26 203.35 8
Mid Mid (pH 6-8) 1.68 4.68 -99.07 3 3 2 30 204.358 8

Activity (Go SEA)

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