UCSF

ZINC39142634

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2010 17 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) 3.16 7.27 -131.23 4 2 2 32 256.821 7
Mid Mid (pH 6-8) 3.16 4.94 -46.76 3 2 1 31 255.813 7
Mid Mid (pH 6-8) 3.16 6.88 -32.67 3 2 1 30 255.813 7

Activity (Go SEA)

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