UCSF

ZINC04275939

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 21 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) 2.99 3.56 -13.88 1 5 0 68 283.262 3
Hi High (pH 8-9.5) 3.05 1.44 -50.54 0 5 -1 74 282.254 3

Activity (Go SEA)

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