UCSF

ZINC31898244

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 31 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) 2.29 11.06 -60.87 2 8 1 98 462.621 8
Mid Mid (pH 6-8) 2.29 8.97 -27.03 1 8 0 97 461.613 8

Activity (Go SEA)

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