UCSF

ZINC37075428

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 4.33 11.03 -41.98 2 1 1 17 264.392 4
Mid Mid (pH 6-8) 4.33 10.35 -2.5 1 1 0 12 263.384 4

Activity (Go SEA)

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