UCSF

ZINC36776479

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 15 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) 0.63 5.84 -121.18 3 3 2 34 207.321 4
Mid Mid (pH 6-8) 0.63 4.48 -40.69 2 3 1 29 206.313 4
Mid Mid (pH 6-8) 0.63 3.38 -36.89 2 3 1 33 206.313 4

Activity (Go SEA)

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