UCSF

ZINC37267710

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 17 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) -0.10 5.69 -65.1 1 7 0 88 257.319 4
Hi High (pH 8-9.5) -0.10 3.31 -39.47 0 7 -1 87 256.311 4

Activity (Go SEA)

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