UCSF

ZINC12032555

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 28 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) 5.52 8.28 -11.38 2 5 0 75 390.464 4
Hi High (pH 8-9.5) 5.97 6.24 -51.12 1 5 -1 78 389.456 4

Activity (Go SEA)

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