UCSF

ZINC34466882

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 22 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) 3.45 9.68 -44.49 3 3 1 43 312.462 2
Hi High (pH 8-9.5) 3.45 7.44 -6.41 2 3 0 42 311.454 2
Lo Low (pH 4.5-6) 3.45 10.11 -93.04 4 3 2 45 313.47 2

Activity (Go SEA)

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