UCSF

ZINC45045704

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 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) 2.81 6.56 -39.59 2 3 1 34 242.774 3
Hi High (pH 8-9.5) 2.81 5.36 -3.82 1 3 0 30 241.766 3

Activity (Go SEA)

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