UCSF

ZINC31539442

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 22 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) 5.36 6.63 -5.71 2 4 0 67 306.402 0
Hi High (pH 8-9.5) 5.36 7.66 -41.99 1 4 -1 70 305.394 0

Activity (Go SEA)

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