UCSF

ZINC37271511

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 14 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) -2.57 -1.84 -49.32 3 6 1 85 224.306 5
Hi High (pH 8-9.5) -2.57 -2.23 -11.42 2 6 0 84 223.298 5

Activity (Go SEA)

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