UCSF

ZINC44886091

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 21 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) 2.66 1.8 -11.39 3 5 0 84 310.35 4
Hi High (pH 8-9.5) 2.66 2.56 -41.81 2 5 -1 86 309.342 4

Activity (Go SEA)

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