UCSF

ZINC13391084

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 20 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) 3.90 7.62 -55.61 1 4 -1 69 333.161 3

Activity (Go SEA)

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