UCSF

ZINC35607100

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 15 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) -1.15 -6.54 -35.36 3 7 -1 118 212.185 4
Hi High (pH 8-9.5) -1.15 -7.23 -45.35 3 7 -1 118 212.185 4
Mid Mid (pH 6-8) -1.61 -4.69 -11.91 4 7 0 115 213.193 4

Activity (Go SEA)

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