UCSF

ZINC44267446

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 18 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) 3.51 7.36 -38.74 2 2 1 29 282.194 4
Hi High (pH 8-9.5) 3.51 6.77 -4.71 1 2 0 25 281.186 4
Lo Low (pH 4.5-6) 3.51 7.88 -95.42 3 2 2 31 283.202 4

Activity (Go SEA)

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