UCSF

ZINC36470192

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2009 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) 3.78 9.86 -42.73 1 3 1 27 309.433 4
Hi High (pH 8-9.5) 3.78 7.52 -4.82 0 3 0 25 308.425 4
Lo Low (pH 4.5-6) 3.78 10.29 -87.07 2 3 2 28 310.441 4

Activity (Go SEA)

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