UCSF

ZINC01709747

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 23 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) 2.35 -3.75 -14.5 2 6 0 84 334.397 5
Hi High (pH 8-9.5) 2.35 -3.24 -45.68 1 6 -1 86 333.389 5

Activity (Go SEA)

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