UCSF

ZINC33542175

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2009 31 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) 1.90 8.64 -75.69 1 8 0 96 426.469 9
Hi High (pH 8-9.5) 1.90 6.1 -66.75 0 8 -1 95 425.461 9
Lo Low (pH 4.5-6) 1.90 7.69 -47.84 2 8 1 94 427.477 9

Activity (Go SEA)

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