UCSF

ZINC36614877

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 26 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) 2.10 4.83 -11.36 0 6 0 58 384.452 5
Mid Mid (pH 6-8) 2.10 6.73 -50.04 1 6 1 60 385.46 5

Activity (Go SEA)

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