UCSF

ZINC04188914

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 31 Yes

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) 5.03 16.21 -12.77 2 8 0 84 420.517 9
Lo Low (pH 4.5-6) 5.03 16.63 -30.81 3 8 1 86 421.525 9
Lo Low (pH 4.5-6) 5.03 16.61 -32.58 3 8 1 86 421.525 9

Activity (Go SEA)

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