UCSF

ZINC37159729

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 21 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) 3.94 7.48 -34.43 3 3 1 37 326.247 5
Mid Mid (pH 6-8) 3.94 8.23 -41.48 2 3 0 40 325.239 5

Activity (Go SEA)

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