UCSF

ZINC09428302

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2007 30 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) 4.63 12.36 -51.41 0 5 -1 74 420.872 6
Mid Mid (pH 6-8) 5.07 10.61 -25.71 1 5 0 71 421.88 5
Mid Mid (pH 6-8) 4.04 1.44 -17.11 0 5 0 67 421.88 6

Activity (Go SEA)

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