UCSF

ZINC45700222

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 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) 3.43 7.61 -39.81 1 3 1 25 303.879 8
Hi High (pH 8-9.5) 3.43 5.13 -4.43 0 3 0 24 302.871 8
Lo Low (pH 4.5-6) 3.43 9.69 -114.36 2 3 2 26 304.887 8

Activity (Go SEA)

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