UCSF

ZINC01192744

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2004 28 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) 1.90 2.27 -49.14 1 8 -1 114 381.364 4
Hi High (pH 8-9.5) 1.90 3.31 -113.68 0 8 -2 117 380.356 4
Lo Low (pH 4.5-6) 1.44 4.76 -13.97 2 8 0 111 382.372 4

Activity (Go SEA)

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