UCSF

ZINC02873343

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2004 29 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) 5.15 7.86 -11.01 3 6 0 91 389.455 7
Hi High (pH 8-9.5) 5.15 8.63 -53.18 2 6 -1 94 388.447 7
Lo Low (pH 4.5-6) 5.15 8.19 -34.21 4 6 1 92 390.463 7

Activity (Go SEA)

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