UCSF

ZINC22709479

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 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) 6.54 12.15 -9.81 1 7 0 94 473.554 4
Mid Mid (pH 6-8) 7.00 10.16 -43.19 0 7 -1 97 472.546 4

Activity (Go SEA)

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