UCSF

ZINC34560408

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 27 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) 5.12 12.91 -41.48 1 3 1 31 364.509 4
Hi High (pH 8-9.5) 5.12 11.45 -7.7 0 3 0 30 363.501 4

Activity (Go SEA)

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