UCSF

ZINC28767482

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 28 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) 1.45 10.24 -100.7 2 7 0 95 390.459 6
Lo Low (pH 4.5-6) -2.14 9.29 -71.58 3 7 1 98 391.467 5

Activity (Go SEA)

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