UCSF

ZINC31815615

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2009 24 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) 3.33 8.91 -53 2 4 1 48 319.384 5
Hi High (pH 8-9.5) 3.33 7.64 -9.08 1 4 0 43 318.376 5

Activity (Go SEA)

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