UCSF

ZINC19911511

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 31 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) -0.16 3.91 -440.18 2 15 -5 275 428.201 6
Mid Mid (pH 6-8) -0.16 8.24 -567.39 1 15 -6 282 427.193 6

Activity (Go SEA)

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