UCSF

ZINC36359608

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 26 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) 2.35 6.93 -11.43 1 5 0 63 358.323 3
Ref Reference (pH 7) 2.17 9.59 -12.58 1 5 0 60 358.323 3
Mid Mid (pH 6-8) 2.17 10.04 -50.61 2 5 1 61 359.331 3
Lo Low (pH 4.5-6) 2.35 7.4 -36.15 2 5 1 65 359.331 3

Activity (Go SEA)

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