UCSF

ZINC37082555

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 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) 1.00 4.35 -44.02 3 4 1 49 211.333 4
Hi High (pH 8-9.5) 1.00 3.97 -4.69 2 4 0 47 210.325 4

Activity (Go SEA)

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