UCSF

ZINC04229931

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 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) 4.34 5.96 -12.01 3 6 0 91 381.819 4
Hi High (pH 8-9.5) 4.34 6.74 -53.67 2 6 -1 94 380.811 4
Lo Low (pH 4.5-6) 4.34 6.29 -35.69 4 6 1 92 382.827 4

Activity (Go SEA)

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