UCSF

ZINC44684133

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) 3.02 7.11 -38.15 2 2 1 20 245.39 4
Hi High (pH 8-9.5) 3.02 6.06 -1.7 1 2 0 15 244.382 4
Mid Mid (pH 6-8) 3.02 8.4 -31.72 2 2 1 16 245.39 4

Activity (Go SEA)

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