UCSF

ZINC37111275

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) 3.48 7.47 -113.45 4 2 2 32 244.467 9
Mid Mid (pH 6-8) 3.48 6.53 -41.78 3 2 1 31 243.459 9

Activity (Go SEA)

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