UCSF

ZINC70613846

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2011 16 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) 3.02 8.83 -32.43 1 2 1 22 224.368 2
Hi High (pH 8-9.5) 3.02 6.98 -4.42 0 2 0 20 223.36 2

Activity (Go SEA)

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