UCSF

ZINC19525406

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 27 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) 4.11 9.29 -37.39 2 6 1 69 375.489 7
Hi High (pH 8-9.5) 4.11 10.18 -61.9 1 6 0 72 374.481 7

Activity (Go SEA)

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