UCSF

ZINC44917037

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 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) -0.64 4.66 -15.23 2 4 0 62 246.241 2
Hi High (pH 8-9.5) 0.66 4.49 -50.17 1 4 -1 65 245.233 2

Activity (Go SEA)

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