UCSF

ZINC36162624

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) 1.50 2.28 -50.11 2 5 1 71 287.405 1
Hi High (pH 8-9.5) 1.50 1.12 -16.4 1 5 0 66 286.397 1

Activity (Go SEA)

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