UCSF

ZINC36718862

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 32 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) 2.97 7.74 -26.89 2 8 0 102 456.568 7
Hi High (pH 8-9.5) 2.97 8.24 -70.62 1 8 -1 104 455.56 7

Activity (Go SEA)

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