UCSF

ZINC49072717

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 17 No

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) -3.41 3.19 -121.14 3 7 -2 148 265.202 9
Hi High (pH 8-9.5) -3.41 2.86 -165.51 2 7 -3 146 264.194 9
Lo Low (pH 4.5-6) -3.41 1.21 -68.66 4 7 -1 145 266.21 9

Activity (Go SEA)

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