UCSF

ZINC20523563

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 12 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) 2.52 5.06 -4.74 1 2 0 25 184.308 3
Mid Mid (pH 6-8) 2.52 5.47 -25.21 2 2 1 26 185.316 3

Activity (Go SEA)

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