UCSF

ZINC12522423

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 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) 2.95 10.03 -10.84 0 5 0 63 368.392 3
Lo Low (pH 4.5-6) 2.95 10.31 -43.78 1 5 1 65 369.4 3

Activity (Go SEA)

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