UCSF

ZINC44694580

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) 0.08 3.9 -53.09 2 6 1 77 291.393 8
Hi High (pH 8-9.5) 0.08 1.5 -16.34 1 6 0 76 290.385 8

Activity (Go SEA)

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