UCSF

ZINC42868239

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 17 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) 1.04 -0.54 -39.39 6 5 1 100 242.343 5
Hi High (pH 8-9.5) 1.04 -0.9 -10.62 5 5 0 98 241.335 5

Activity (Go SEA)

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