UCSF

ZINC36877393

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 21 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) 0.98 6.15 -49.66 4 6 1 102 289.359 5
Hi High (pH 8-9.5) 0.98 5.9 -12.07 3 6 0 101 288.351 5
Lo Low (pH 4.5-6) 0.98 6.95 -126.14 5 6 2 103 290.367 5

Activity (Go SEA)

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