UCSF

ZINC05073496

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2006 23 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) 3.03 8.22 -7.24 1 3 0 42 312.457 3
Lo Low (pH 4.5-6) 3.03 8.69 -40.84 2 3 1 43 313.465 3

Activity (Go SEA)

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