UCSF

ZINC70519442

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 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) 4.18 6.21 -35.17 3 3 1 46 294.459 9
Hi High (pH 8-9.5) 4.18 4.99 -3.94 2 3 0 41 293.451 9

Activity (Go SEA)

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