UCSF

ZINC35738367

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 12 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) -0.98 2 -94.88 4 4 2 54 173.26 2
Hi High (pH 8-9.5) -0.98 0.56 -44.48 3 4 1 49 172.252 2

Activity (Go SEA)

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