UCSF

ZINC39745479

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 23 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) 4.01 5.69 -18.08 2 6 0 84 327.365 4
Hi High (pH 8-9.5) 3.53 3.32 -53.89 1 6 -1 91 326.357 4
Hi High (pH 8-9.5) 4.01 6.7 -62.24 1 6 -1 87 326.357 4

Activity (Go SEA)

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