UCSF

ZINC36950621

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) 1.78 4.1 -38.4 3 3 1 40 251.394 9
Hi High (pH 8-9.5) 1.78 2.69 -3.16 2 3 0 35 250.386 9
Hi High (pH 8-9.5) 1.79 5.06 -34.89 3 3 1 37 251.394 9
Mid Mid (pH 6-8) 1.79 7.01 -38.26 3 3 1 44 251.394 9

Activity (Go SEA)

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