UCSF

ZINC09374341

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 39 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) 6.37 15.06 -43.2 0 6 -1 79 526.653 11
Mid Mid (pH 6-8) 6.81 14.59 -18.47 1 6 0 76 527.661 10

Activity (Go SEA)

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