UCSF

ZINC40071708

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 26 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) 3.67 5.26 -8.45 1 5 0 51 357.45 7
Mid Mid (pH 6-8) 3.67 7.47 -41.26 2 5 1 52 358.458 7

Activity (Go SEA)

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