UCSF

ZINC36159942

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 28 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) 1.42 4.63 -54.11 3 7 1 83 407.56 8
Hi High (pH 8-9.5) 1.88 1.99 -45.28 2 7 0 86 406.552 8
Lo Low (pH 4.5-6) 1.42 6.95 -122.17 4 7 2 84 408.568 8

Activity (Go SEA)

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