UCSF

ZINC37197908

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) 4.09 6.52 -7.09 1 3 0 34 256.349 3
Mid Mid (pH 6-8) 4.09 6.95 -28.27 2 3 1 35 257.357 3

Activity (Go SEA)

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