UCSF

ZINC08779446

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 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) 1.57 2.19 -49.82 2 9 1 102 445.492 10
Mid Mid (pH 6-8) 0.98 2.15 -59.43 1 9 1 99 445.492 10

Activity (Go SEA)

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