UCSF

ZINC34686962

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 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) 3.55 5.43 -12.53 1 5 0 51 393.43 8
Lo Low (pH 4.5-6) 3.55 7.74 -53.13 2 5 1 52 394.438 8

Activity (Go SEA)

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