UCSF

ZINC36382835

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 38 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) 2.64 9.69 -19.71 0 10 0 99 518.57 8
Mid Mid (pH 6-8) 2.64 11.88 -55.6 1 10 1 100 519.578 8

Activity (Go SEA)

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