UCSF

ZINC36809641

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) 3.85 5.81 -48.37 3 2 1 31 344.342 3
Hi High (pH 8-9.5) 3.85 5.67 -2.22 2 2 0 29 343.334 3
Lo Low (pH 4.5-6) 3.85 7.99 -126.34 4 2 2 32 345.35 3

Activity (Go SEA)

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