UCSF

ZINC21640369

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 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) 4.28 9.87 -9.81 0 5 0 35 421.495 4
Lo Low (pH 4.5-6) 4.28 10.17 -38.55 1 5 1 37 422.503 4

Activity (Go SEA)

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