UCSF

ZINC65593600

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2011 23 No

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) 2.18 7.13 -51.8 3 6 1 76 319.429 6
Mid Mid (pH 6-8) 2.18 4.95 -22.69 2 6 0 74 318.421 6

Activity (Go SEA)

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