UCSF

ZINC36929390

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 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) 1.19 0.75 -56.96 3 5 1 74 291.418 3
Hi High (pH 8-9.5) 1.19 0.35 -8.7 2 5 0 73 290.41 3

Activity (Go SEA)

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