UCSF

ZINC34559160

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 17 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) 2.34 1.54 -43.35 0 5 -1 74 316.156 3
Lo Low (pH 4.5-6) 2.34 1.91 -10.66 1 5 0 72 317.164 3

Activity (Go SEA)

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