UCSF

ZINC29634643

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2009 25 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) 1.95 7.74 -42.43 1 6 1 50 344.435 6
Hi High (pH 8-9.5) 1.95 5.51 -14.08 0 6 0 49 343.427 6

Activity (Go SEA)

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