UCSF

ZINC44684384

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) 2.46 6.8 -36.51 2 2 1 20 243.374 3
Hi High (pH 8-9.5) 2.46 5.77 -2.03 1 2 0 15 242.366 3
Mid Mid (pH 6-8) 2.46 8.15 -31.11 2 2 1 16 243.374 3
Lo Low (pH 4.5-6) 2.46 9.2 -110.5 3 2 2 21 244.382 3

Activity (Go SEA)

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