UCSF

ZINC41676972

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 16 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) 1.55 6.44 -39.97 2 4 1 42 223.344 6
Hi High (pH 8-9.5) 1.55 4.21 -7.6 1 4 0 41 222.336 6
Mid Mid (pH 6-8) 1.55 6.55 -83.26 3 4 2 43 224.352 6
Lo Low (pH 4.5-6) 1.55 6.6 -89.79 3 4 2 43 224.352 6

Activity (Go SEA)

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