UCSF

ZINC09359411

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 27 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) 1.45 1.6 -49.44 1 8 -1 114 367.337 4
Hi High (pH 8-9.5) 1.45 2.63 -113.76 0 8 -2 117 366.329 4
Lo Low (pH 4.5-6) 0.99 4.08 -14.37 2 8 0 111 368.345 4

Activity (Go SEA)

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