UCSF

ZINC35151175

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 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) 2.00 5.34 -28.09 2 3 1 26 243.415 7
Hi High (pH 8-9.5) 2.00 3.09 -1.26 1 3 0 24 242.407 7
Mid Mid (pH 6-8) 2.00 6.69 -106.68 3 3 2 30 244.423 7
Mid Mid (pH 6-8) 2.00 4.44 -37.54 2 3 1 29 243.415 7

Activity (Go SEA)

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