UCSF

ZINC40185374

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 1.53 10.58 -15.7 0 7 0 71 391.475 5
Lo Low (pH 4.5-6) 1.53 11.4 -30.96 1 7 1 73 392.483 5

Activity (Go SEA)

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