UCSF

ZINC36855015

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 13 No

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) -2.78 -1.01 -48.6 1 6 -1 90 185.159 3
Hi High (pH 8-9.5) -2.59 -3.55 -98.65 0 6 -2 96 184.151 3
Hi High (pH 8-9.5) -2.59 -3.81 -94.13 0 6 -2 96 184.151 3
Mid Mid (pH 6-8) -2.59 -1.35 -55.75 1 6 -1 97 185.159 3
Mid Mid (pH 6-8) -2.59 -1.35 -51.3 1 6 -1 97 185.159 3

Activity (Go SEA)

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