UCSF

ZINC03287396

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 34 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) 6.57 11.65 -25.3 2 7 0 97 454.482 8
Hi High (pH 8-9.5) 6.57 12.67 -71.82 1 7 -1 100 453.474 8

Activity (Go SEA)

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