UCSF

ZINC20434627

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 16 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) -1.16 -1.42 -43.35 4 5 1 79 222.268 3
Hi High (pH 8-9.5) -1.16 -2.8 -10.35 3 5 0 74 221.26 3
Lo Low (pH 4.5-6) -1.16 -0.98 -91.85 5 5 2 80 223.276 3

Activity (Go SEA)

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