UCSF

ZINC45687039

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 18 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) 0.18 6.11 -45.55 2 5 1 61 252.338 6
Hi High (pH 8-9.5) 0.18 4.73 -10.72 1 5 0 56 251.33 6
Lo Low (pH 4.5-6) 0.18 6.27 -105.88 3 5 2 62 253.346 6

Activity (Go SEA)

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