UCSF

ZINC15935441

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 23 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) 1.31 5.59 -27.74 2 7 0 87 331.401 3
Hi High (pH 8-9.5) 1.50 4.67 -60.2 1 7 -1 94 330.393 3

Activity (Go SEA)

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