UCSF

ZINC31773702

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2009 25 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) 3.06 7.56 -67.37 1 5 1 59 365.519 5
Hi High (pH 8-9.5) 3.06 5.26 -16.48 0 5 0 58 364.511 5

Activity (Go SEA)

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