UCSF

ZINC36921981

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 21 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) 4.70 7.36 -45.15 3 2 1 37 333.185 4
Hi High (pH 8-9.5) 4.70 6.93 -36.2 1 2 -1 35 331.169 4
Mid Mid (pH 6-8) 4.70 8.11 -29.05 2 2 0 40 332.177 4
Mid Mid (pH 6-8) 4.70 6.18 -4.51 2 2 0 32 332.177 4

Activity (Go SEA)

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