UCSF

ZINC37195179

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 19 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) 1.19 3.47 -9.7 2 4 0 50 283.372 3
Mid Mid (pH 6-8) 1.19 5.82 -49.42 3 4 1 51 284.38 3

Activity (Go SEA)

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