UCSF

ZINC37275323

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 3.35 8.11 -6.87 1 4 0 39 271.364 4
Mid Mid (pH 6-8) 3.35 8.62 -31.37 2 4 1 40 272.372 4

Activity (Go SEA)

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