UCSF

ZINC43248040

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 No

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) 1.20 1.64 -55.92 3 4 1 65 303.473 4
Hi High (pH 8-9.5) 1.20 1.35 -11.19 2 4 0 63 302.465 4

Activity (Go SEA)

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