UCSF

ZINC41340374

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.42 5.07 -8.88 1 5 0 54 373.522 7
Lo Low (pH 4.5-6) 2.42 7.36 -42.18 2 5 1 56 374.53 7

Activity (Go SEA)

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