UCSF

ZINC42781535

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 19 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) 1.43 8.15 -70.48 1 6 0 74 266.345 7
Hi High (pH 8-9.5) 1.43 5.29 -53.38 0 6 -1 72 265.337 7
Lo Low (pH 4.5-6) 1.43 8.25 -95.33 2 6 1 75 267.353 7

Activity (Go SEA)

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