UCSF

ZINC36987056

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 1.20 4.34 -101.25 5 4 2 69 236.363 7
Mid Mid (pH 6-8) -1.71 5.29 -28.98 5 4 1 69 235.355 7

Activity (Go SEA)

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