UCSF

ZINC08587084

Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2007 27 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) 4.51 8.74 -10.98 1 5 0 57 368.477 10
Mid Mid (pH 6-8) 4.51 9.27 -32.59 2 5 1 58 369.485 10

Activity (Go SEA)

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