UCSF

ZINC34578454

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 21 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) 4.42 10.91 -52.64 1 3 0 54 279.339 5
Mid Mid (pH 6-8) 4.42 10.53 -48.24 0 3 -1 53 278.331 5
Lo Low (pH 4.5-6) 4.42 8.94 -28.71 2 3 1 51 280.347 5

Activity (Go SEA)

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