UCSF

ZINC46053857

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2010 31 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) 2.49 7.07 -24.45 2 8 0 106 438.509 4
Hi High (pH 8-9.5) 2.49 7.41 -69.3 1 8 -1 108 437.501 4

Activity (Go SEA)

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