UCSF

ZINC03491519

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 23 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) 2.85 7.12 -56.48 3 5 1 63 316.356 6
Hi High (pH 8-9.5) 2.85 4.92 -19.85 2 5 0 61 315.348 6

Activity (Go SEA)

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