UCSF

ZINC45696607

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 14 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) -0.13 1.08 -50.32 3 5 1 79 200.262 7
Hi High (pH 8-9.5) -0.13 -0.13 -9.95 2 5 0 74 199.254 7

Activity (Go SEA)

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