UCSF

ZINC37798471

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 1.73 5.87 -49.43 3 4 1 53 264.393 4
Mid Mid (pH 6-8) 1.73 5.52 -9.62 2 4 0 51 263.385 4

Activity (Go SEA)

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