UCSF

ZINC20608737

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 26 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) 4.05 7.58 -7.91 2 4 0 62 381.526 3
Lo Low (pH 4.5-6) 4.05 7.84 -36.55 3 4 1 64 382.534 3

Activity (Go SEA)

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