UCSF

ZINC08845543

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 34 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) 3.66 8 -14.88 2 8 0 97 463.534 11
Mid Mid (pH 6-8) 3.66 8.76 -54.64 1 8 -1 100 462.526 11

Activity (Go SEA)

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