UCSF

ZINC36809744

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 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) 3.29 6.49 -46.49 3 2 1 31 279.473 3
Hi High (pH 8-9.5) 3.29 5.64 -1.74 2 2 0 29 278.465 3
Lo Low (pH 4.5-6) 3.29 8.06 -118.07 4 2 2 32 280.481 3

Activity (Go SEA)

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