UCSF

ZINC40130634

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 29 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) 2.54 9.26 -11.42 0 6 0 49 394.519 6
Mid Mid (pH 6-8) 2.54 11.5 -49.04 1 6 1 50 395.527 6
Lo Low (pH 4.5-6) 2.54 11.97 -96.58 2 6 2 51 396.535 6

Activity (Go SEA)

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