UCSF

ZINC37574576

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2009 20 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) 4.66 6.79 -40.69 0 3 -1 48 436.17 4
Mid Mid (pH 6-8) 4.66 6.34 -8.56 1 3 0 46 437.178 4

Activity (Go SEA)

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