UCSF

ZINC53130799

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 13 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) 0.99 4.47 -41.9 3 2 0 41 175.255 3
Hi High (pH 8-9.5) 0.99 4.16 -6.91 2 2 0 39 174.247 3

Activity (Go SEA)

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