UCSF

ZINC42913522

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 18 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) 0.57 2.19 -134.56 6 4 2 75 253.321 4
Mid Mid (pH 6-8) 0.57 0.16 -63.62 5 4 1 74 252.313 4

Activity (Go SEA)

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