UCSF

ZINC05595768

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2006 31 No

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) 2.67 -2.15 -47.63 3 7 1 91 423.489 5
Mid Mid (pH 6-8) 2.67 -2.52 -52.01 3 7 1 91 423.489 5

Activity (Go SEA)

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