UCSF

ZINC21714450

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 28 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) 2.73 6.76 -25.71 3 7 0 100 391.456 6
Mid Mid (pH 6-8) 2.73 7.23 -51.05 4 7 1 101 392.464 6

Activity (Go SEA)

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