UCSF

ZINC00816509

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 26 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) 2.43 6.61 -54.48 2 7 1 66 402.302 3
Mid Mid (pH 6-8) 2.43 4.47 -12.05 1 7 0 65 401.294 3

Activity (Go SEA)

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