UCSF

ZINC37255607

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 18 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) 3.26 8.45 -44.3 2 2 1 40 247.337 3
Hi High (pH 8-9.5) 3.26 7.27 -4.15 1 2 0 36 246.329 3

Activity (Go SEA)

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