UCSF

ZINC31544850

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 31 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) 2.70 3.02 -49.3 6 6 1 107 432.581 16
Hi High (pH 8-9.5) 2.70 1.6 -11.08 5 6 0 102 431.573 16

Activity (Go SEA)

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