UCSF

ZINC53115604

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 21 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) 3.74 6.27 -41.12 3 2 1 37 302.36 5
Hi High (pH 8-9.5) 3.74 5.05 -4.13 2 2 0 32 301.352 5

Activity (Go SEA)

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