UCSF

ZINC44892800

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 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) -1.73 3.16 -27.53 3 6 0 96 317.32 2
Hi High (pH 8-9.5) -0.43 1.73 -59.02 2 6 -1 99 316.312 2

Activity (Go SEA)

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