UCSF

ZINC42259686

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 21 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) 2.48 6.7 -55.2 3 4 1 62 304.37 4
Hi High (pH 8-9.5) 2.94 2.95 -48.98 1 4 -1 61 302.354 4
Mid Mid (pH 6-8) 2.48 5.57 -12.39 2 4 0 58 303.362 4
Mid Mid (pH 6-8) 2.94 4.1 -46.93 2 4 0 65 303.362 4

Activity (Go SEA)

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