UCSF

ZINC37255422

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 16 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) 4.10 8.76 -36.89 2 1 1 17 238.42 4
Hi High (pH 8-9.5) 4.10 7.57 -1.9 1 1 0 12 237.412 4

Activity (Go SEA)

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