UCSF

ZINC44875672

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 17 No

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) -0.02 0.96 -47.9 5 6 1 92 243.331 4
Hi High (pH 8-9.5) 0.16 -0.82 -39.28 4 6 0 98 242.323 4

Activity (Go SEA)

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