UCSF

ZINC21793784

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 27 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) 1.07 6.57 -13.01 0 7 0 62 367.453 3
Lo Low (pH 4.5-6) 1.07 6.84 -38.58 1 7 1 63 368.461 3

Activity (Go SEA)

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