UCSF

ZINC20143145

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 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) 3.80 6.52 -38.95 3 2 1 29 253.454 2
Hi High (pH 8-9.5) 3.80 6.51 -30.92 3 2 1 29 253.454 2
Mid Mid (pH 6-8) 3.80 7.57 -102.79 4 2 2 33 254.462 2

Activity (Go SEA)

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