UCSF

ZINC34368988

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 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) 4.39 13.26 -196.3 5 4 3 47 430.701 10
Hi High (pH 8-9.5) 4.39 9.44 -44.59 3 4 1 41 428.685 10
Mid Mid (pH 6-8) 4.39 10.78 -120.05 4 4 2 46 429.693 10
Mid Mid (pH 6-8) 4.39 11.91 -90.62 4 4 2 42 429.693 10

Activity (Go SEA)

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