UCSF

ZINC43461096

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 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) 3.53 6.43 -9.16 1 3 0 42 268.158 3
Hi High (pH 8-9.5) 3.53 5.86 -37.11 0 3 -1 40 267.15 3
Lo Low (pH 4.5-6) 3.53 6.91 -29.48 2 3 1 43 269.166 3

Activity (Go SEA)

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