UCSF

ZINC58421500

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2011 19 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) -0.14 1.93 -37.72 3 6 1 67 269.369 5
Hi High (pH 8-9.5) -0.14 0.61 -7.38 2 6 0 63 268.361 5

Activity (Go SEA)

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