UCSF

ZINC69382480

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2011 17 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) 4.33 7.31 -32.47 2 2 1 29 255.451 8
Hi High (pH 8-9.5) 4.33 6.28 -2.85 1 2 0 25 254.443 8

Activity (Go SEA)

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