UCSF

ZINC34883671

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 32 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) 3.89 10.98 -49.52 2 6 1 54 428.56 8
Hi High (pH 8-9.5) 3.89 9.6 -11.58 1 6 0 49 427.552 8
Lo Low (pH 4.5-6) 3.89 13.17 -134.24 3 6 2 55 429.568 8

Activity (Go SEA)

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