UCSF

ZINC37809529

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) 0.58 3.12 -40.66 4 4 1 68 251.35 7
Mid Mid (pH 6-8) 0.58 2.86 -9.43 3 4 0 67 250.342 7

Activity (Go SEA)

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