UCSF

ZINC36397329

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2009 24 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) 1.28 5.75 -55.65 3 5 1 63 346.373 9
Mid Mid (pH 6-8) 1.28 3.61 -15.18 2 5 0 61 345.365 9

Activity (Go SEA)

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