UCSF

ZINC31890188

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 10 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) 2.17 4.55 -4.61 0 1 0 13 173.306 2
Hi High (pH 8-9.5) 2.17 5.03 -47.25 0 1 -1 13 172.298 2

Activity (Go SEA)

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