UCSF

ZINC04631780

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2005 19 Yes

Other Names:

MFCD03076353

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) 3.26 10.33 -8.15 0 2 0 18 248.329 3
Mid Mid (pH 6-8) 3.26 10.79 -30.5 1 2 1 19 249.337 3

Activity (Go SEA)

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