UCSF

ZINC33814369

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 33 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) 2.64 12.11 -71.35 1 8 0 91 448.523 8
Hi High (pH 8-9.5) 2.64 9.57 -55.35 0 8 -1 90 447.515 8
Lo Low (pH 4.5-6) 2.64 10.8 -59.28 2 8 1 89 449.531 8

Activity (Go SEA)

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