UCSF

ZINC36850541

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 13 No

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) -1.13 0.72 -49.57 2 5 1 63 187.219 4
Mid Mid (pH 6-8) -1.13 -0.61 -11.56 1 5 0 59 186.211 4
Mid Mid (pH 6-8) -1.13 -0.61 -7.56 1 5 0 59 186.211 4

Activity (Go SEA)

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