UCSF

ZINC36884772

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 12 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) 1.22 5.64 -39.84 2 3 1 43 172.248 6
Mid Mid (pH 6-8) 1.22 4.3 -4.89 1 3 0 38 171.24 6

Activity (Go SEA)

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