UCSF

ZINC02860333

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2004 26 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) 4.08 5.49 -11.94 3 6 0 91 412.243 4
Hi High (pH 8-9.5) 4.08 6.27 -53.26 2 6 -1 94 411.235 4
Lo Low (pH 4.5-6) 4.08 5.73 -35.74 4 6 1 92 413.251 4

Activity (Go SEA)

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