UCSF

ZINC27526031

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2009 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) -0.04 5.26 -102.31 3 7 0 102 375.4 4
Mid Mid (pH 6-8) -2.78 4.3 -75.61 4 7 1 105 376.408 3

Activity (Go SEA)

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