UCSF

ZINC13740700

Substance Information

In ZINC since Heavy atoms Benign functionality
June 24th, 2008 28 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) 4.47 10.16 -42.24 0 5 -1 58 366.4 4
Lo Low (pH 4.5-6) 4.93 8.68 -14.79 1 5 0 60 367.408 4

Activity (Go SEA)

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