UCSF

ZINC36893505

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 20 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) 1.76 5.9 -56.92 1 5 -1 78 273.312 2
Mid Mid (pH 6-8) 1.76 6.33 -55.1 2 5 0 79 274.32 2

Activity (Go SEA)

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