UCSF

ZINC58338494

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 23 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) 1.99 7.19 -56.27 2 6 1 65 336.437 8
Mid Mid (pH 6-8) 1.99 4.94 -19.19 1 6 0 64 335.429 8

Activity (Go SEA)

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