UCSF

ZINC35647532

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 16 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) 1.57 1.24 -9.43 2 4 0 66 243.328 5
Hi High (pH 8-9.5) 1.57 1.36 -42.52 1 4 -1 68 242.32 5

Activity (Go SEA)

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