UCSF

ZINC36780552

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 13 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) 0.40 2.39 -48.44 3 4 1 69 184.263 6
Mid Mid (pH 6-8) 0.40 1.21 -11.81 2 4 0 65 183.255 6

Activity (Go SEA)

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