UCSF

ZINC33813978

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 34 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) 1.67 7.53 -50.27 1 10 -1 133 476.494 5
Hi High (pH 8-9.5) 1.67 8.32 -116.52 0 10 -2 136 475.486 5
Lo Low (pH 4.5-6) 1.67 6.4 -25.49 2 10 0 130 477.502 5

Activity (Go SEA)

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