UCSF

ZINC40092021

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 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) -0.67 7.78 -41.88 1 6 1 58 305.402 3
Hi High (pH 8-9.5) -0.67 6.17 -13.54 0 6 0 57 304.394 3

Activity (Go SEA)

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