UCSF

ZINC13485409

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 29 Yes

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) 6.22 10.97 -7.71 2 4 0 67 392.495 5
Hi High (pH 8-9.5) 6.22 11.97 -53.57 1 4 -1 70 391.487 5

Activity (Go SEA)

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