UCSF

ZINC19487443

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 19 Yes

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) 1.93 3.59 -61.11 2 5 -1 89 264.301 8
Hi High (pH 8-9.5) 1.93 4.38 -106.16 1 5 -2 92 263.293 8
Lo Low (pH 4.5-6) 1.93 2.47 -23.09 3 5 0 87 265.309 8

Activity (Go SEA)

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