UCSF

ZINC33775579

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 39 No

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) 4.13 14.16 -55.71 0 7 -1 92 519.577 10
Lo Low (pH 4.5-6) 4.13 12.86 -22.21 1 7 0 89 520.585 10

Activity (Go SEA)

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