UCSF

ZINC16101255

Substance Information

In ZINC since Heavy atoms Benign functionality
August 21st, 2008 20 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) 4.66 6.77 -7.61 1 3 0 46 437.178 4
Hi High (pH 8-9.5) 4.66 6.87 -39.58 0 3 -1 48 436.17 4

Activity (Go SEA)

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