UCSF

ZINC42741957

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) 3.59 5.08 -47.28 3 2 1 31 320.32 5
Hi High (pH 8-9.5) 3.59 5.21 -1.55 2 2 0 29 319.312 5
Mid Mid (pH 6-8) 3.59 6.44 -29.93 3 2 1 30 320.32 5
Lo Low (pH 4.5-6) 3.59 6.81 -127.46 4 2 2 32 321.328 5

Activity (Go SEA)

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