UCSF

ZINC42463064

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 0.00 -0.35 -40.9 3 5 1 60 256.37 2
Mid Mid (pH 6-8) 0.00 1.71 -95.4 4 5 2 62 257.378 2

Activity (Go SEA)

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