UCSF

ZINC43361616

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2010 23 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) 2.89 8.27 -49.12 3 5 1 58 331.465 4
Hi High (pH 8-9.5) 2.89 5.99 -14.76 2 5 0 57 330.457 4

Activity (Go SEA)

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