UCSF

ZINC31207701

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2009 27 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) 2.18 9.24 -44.98 1 6 1 54 439.374 4
Hi High (pH 8-9.5) 2.18 7.03 -11.41 0 6 0 53 438.366 4

Activity (Go SEA)

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