UCSF

ZINC07790083

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2006 21 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 6.16 -43.73 3 5 1 63 312.821 7
Hi High (pH 8-9.5) 2.85 4.16 -14.34 2 5 0 61 311.813 7

Activity (Go SEA)

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