UCSF

ZINC08973488

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 30 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) 1.70 8.75 -53.01 2 7 1 84 409.462 6
Mid Mid (pH 6-8) 1.12 9.25 -48.71 1 7 1 81 409.462 7

Activity (Go SEA)

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