UCSF

ZINC21795847

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 4.02 10.04 -35.49 2 2 1 16 283.439 7
Mid Mid (pH 6-8) 4.02 7.91 -2.45 1 2 0 15 282.431 7
Mid Mid (pH 6-8) 4.02 9.26 -40.54 2 2 1 20 283.439 7
Lo Low (pH 4.5-6) 4.02 11.45 -130.23 3 2 2 21 284.447 7

Activity (Go SEA)

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