UCSF

ZINC34556672

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 28 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) 3.41 10.29 -62.53 2 5 1 60 392.552 4
Hi High (pH 8-9.5) 3.41 8.94 -12.1 1 5 0 55 391.544 4
Mid Mid (pH 6-8) 3.41 11.23 -102.16 3 5 2 61 393.56 4

Activity (Go SEA)

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