UCSF

ZINC37821382

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 2.16 4.29 -36.49 3 4 1 57 257.398 8
Hi High (pH 8-9.5) 2.16 3.37 -9.83 2 4 0 53 256.39 8

Activity (Go SEA)

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