UCSF

ZINC34988812

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 19 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) 2.43 4.62 -44.48 3 4 1 62 264.345 4
Hi High (pH 8-9.5) 2.43 3.32 -43.53 1 4 -1 64 262.329 4
Mid Mid (pH 6-8) 2.43 2.39 -10.51 2 4 0 61 263.337 4

Activity (Go SEA)

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