UCSF

ZINC37208460

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 3.04 6.66 -33.85 2 2 1 16 253.332 6
Mid Mid (pH 6-8) 3.04 7.66 -99.32 3 2 2 21 254.34 6

Activity (Go SEA)

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