UCSF

ZINC45630722

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 17 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) 3.20 7.13 -36.13 2 2 1 20 237.411 5
Hi High (pH 8-9.5) 3.20 7.97 -35.11 2 2 1 16 237.411 5
Lo Low (pH 4.5-6) 3.20 9.16 -105.92 3 2 2 21 238.419 5

Activity (Go SEA)

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