UCSF

ZINC61840583

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2011 19 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) 3.92 8.31 -33.29 2 2 1 29 279.473 5
Hi High (pH 8-9.5) 3.92 8.66 -2.55 1 2 0 25 278.465 5
Lo Low (pH 4.5-6) 3.92 9.14 -94.88 3 2 2 31 280.481 5

Activity (Go SEA)

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