UCSF

ZINC13602965

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 30 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) 7.53 12.5 -7.6 1 4 0 54 455.366 5
Ref Reference (pH 7) 7.04 12.38 -41.25 0 4 -1 53 454.358 6

Activity (Go SEA)

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