UCSF

ZINC08996982

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 28 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) 1.81 6.7 -54.12 4 7 1 95 402.906 3
Mid Mid (pH 6-8) 1.81 7.16 -114.73 5 7 2 96 403.914 3

Activity (Go SEA)

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