UCSF

ZINC49573575

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 30 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) 5.62 13.59 -9.17 0 4 0 32 394.522 4
Mid Mid (pH 6-8) 5.62 13.91 -24.46 1 4 1 34 395.53 4
Mid Mid (pH 6-8) 5.62 13.92 -24.73 1 4 1 34 395.53 4
Mid Mid (pH 6-8) 5.62 16.12 -100.08 2 4 2 35 396.538 4

Activity (Go SEA)

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