UCSF

ZINC34301392

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2009 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) 0.21 11.02 -96.78 1 7 0 79 389.427 4
Mid Mid (pH 6-8) -2.54 9.76 -73.36 2 7 1 82 390.435 3
Mid Mid (pH 6-8) 0.21 8.74 -62.56 0 7 -1 78 388.419 4

Activity (Go SEA)

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