UCSF

ZINC36864044

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 21 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) 0.33 3.45 -55.02 1 7 -1 104 308.339 6
Mid Mid (pH 6-8) 0.33 3.86 -68.03 2 7 0 105 309.347 6

Activity (Go SEA)

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