UCSF

ZINC04497839

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2005 17 No

Download: MOL2 SDF SMILES Flexibase

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) 0.20 3.25 -34.43 3 5 1 63 242.343 6
Hi High (pH 8-9.5) 0.38 1.72 -35.38 2 5 0 69 241.335 6

Activity (Go SEA)

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