UCSF

ZINC37825891

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) 0.10 3.09 -38.93 2 6 1 66 270.353 4
Hi High (pH 8-9.5) 0.10 1.84 -12.47 1 6 0 62 269.345 4
Lo Low (pH 4.5-6) 0.10 5.22 -96.12 3 6 2 68 271.361 4

Activity (Go SEA)

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