UCSF

ZINC43247164

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 17 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) 1.30 4.56 -94.31 4 3 2 35 255.431 3
Hi High (pH 8-9.5) 1.30 1.82 -2.07 2 3 0 32 253.415 3
Mid Mid (pH 6-8) 1.30 2.26 -41.51 3 3 1 34 254.423 3

Activity (Go SEA)

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