UCSF

ZINC08739494

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 31 No

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) 5.28 12.21 -64.3 0 5 -1 73 431.537 5
Mid Mid (pH 6-8) 5.73 11.95 -16.25 1 5 0 71 432.545 4
Mid Mid (pH 6-8) 4.70 12.47 -13.1 0 5 0 67 432.545 5

Activity (Go SEA)

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