UCSF

ZINC42774739

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 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) -0.04 5.03 -41.53 1 5 1 51 257.354 6
Hi High (pH 8-9.5) -0.04 2.88 -11.66 0 5 0 50 256.346 6

Activity (Go SEA)

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