UCSF

ZINC40174756

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 17 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) -1.08 -1.01 -80.14 4 5 2 48 244.383 4
Mid Mid (pH 6-8) -1.08 -3.38 -39.23 3 5 1 47 243.375 4
Lo Low (pH 4.5-6) -1.08 1.26 -171.81 5 5 3 49 245.391 4

Activity (Go SEA)

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