UCSF

ZINC08973682

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 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) 6.86 11.17 -12.52 1 4 0 58 395.487 2
Ref Reference (pH 7) 5.94 12.29 -16.12 1 4 0 55 395.487 3

Activity (Go SEA)

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