UCSF

ZINC08980410

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 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) 1.81 4.97 -57.73 3 8 1 101 439.488 7
Mid Mid (pH 6-8) 1.22 5.62 -69 2 8 1 98 439.488 7

Activity (Go SEA)

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