UCSF

ZINC44625640

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 16 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) 1.05 7.96 -54.55 2 5 1 60 220.3 4
Hi High (pH 8-9.5) 1.05 6.74 -15.86 1 5 0 55 219.292 4

Activity (Go SEA)

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