UCSF

ZINC21168089

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2008 30 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) 4.01 12.15 -55.29 2 6 1 61 405.522 5
Mid Mid (pH 6-8) 4.01 9.97 -17.38 1 6 0 59 404.514 5
Mid Mid (pH 6-8) 4.01 10.38 -40.95 2 6 1 61 405.522 5
Lo Low (pH 4.5-6) 4.01 12.58 -118.42 3 6 2 62 406.53 5

Activity (Go SEA)

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