UCSF

ZINC42743772

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 1.70 2.84 -39.93 3 3 1 40 257.423 7
Hi High (pH 8-9.5) 1.70 2.49 -2.13 2 3 0 38 256.415 7
Mid Mid (pH 6-8) 1.70 4.91 -25.61 3 3 1 40 257.423 7
Mid Mid (pH 6-8) 1.70 5.08 -118.13 4 3 2 41 258.431 7

Activity (Go SEA)

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