UCSF

ZINC09019090

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 32 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) 3.11 0.72 -57.08 1 9 -1 143 437.428 10
Mid Mid (pH 6-8) 2.53 0.63 -62.72 0 9 -1 140 437.428 10

Activity (Go SEA)

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