UCSF

ZINC44244130

Substance Information

In ZINC since Heavy atoms Benign functionality
May 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) 0.29 -2.15 -19.12 1 6 0 93 343.224 5
Hi High (pH 8-9.5) 0.29 -2.52 -47.43 0 6 -1 95 342.216 5

Activity (Go SEA)

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