UCSF

ZINC45186903

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2010 24 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) 7.01 13.11 -5.76 2 4 0 50 400.096 4
Lo Low (pH 4.5-6) 7.01 13.29 -34.21 3 4 1 51 401.104 4

Activity (Go SEA)

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