UCSF

ZINC09013383

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 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) 4.01 8.99 -62.45 0 5 -1 70 382.411 7
Mid Mid (pH 6-8) 3.43 1.51 -12.33 0 5 0 63 383.419 7
Lo Low (pH 4.5-6) 4.01 8.17 -17.51 1 5 0 67 383.419 7

Activity (Go SEA)

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