UCSF

ZINC31897659

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 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) 4.07 13.59 -44.15 1 4 1 39 370.542 6
Mid Mid (pH 6-8) 4.07 11.3 -11.13 0 4 0 38 369.534 6

Activity (Go SEA)

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