UCSF

ZINC28707760

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2009 33 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) 4.76 14.38 -49.35 1 6 1 60 453.582 10
Hi High (pH 8-9.5) 4.76 11.87 -10.14 0 6 0 58 452.574 10

Activity (Go SEA)

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