UCSF

ZINC15352654

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2008 29 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) 3.66 4.99 -21.47 2 7 0 94 412.467 7
Hi High (pH 8-9.5) 3.66 5.1 -55.99 1 7 -1 96 411.459 7

Activity (Go SEA)

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