UCSF

ZINC51783048

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2010 12 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) -0.15 1.23 -110.78 4 4 2 50 173.26 3
Hi High (pH 8-9.5) -0.15 -0.22 -36.17 3 4 1 46 172.252 3
Hi High (pH 8-9.5) -0.15 -2.42 -7.46 2 4 0 44 171.244 3
Mid Mid (pH 6-8) -0.15 -0.97 -44.28 3 4 1 49 172.252 3

Activity (Go SEA)

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