UCSF

ZINC37596447

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 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) -0.08 8 -59.96 1 6 0 75 254.334 7
Hi High (pH 8-9.5) -0.08 6.11 -56.7 0 6 -1 74 253.326 7

Activity (Go SEA)

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