UCSF

ZINC08430874

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 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) 2.22 7.2 -48.49 2 5 1 52 313.377 5
Hi High (pH 8-9.5) 2.22 4.72 -10.21 1 5 0 51 312.369 5

Activity (Go SEA)

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