UCSF

ZINC36169908

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 12 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) 1.78 5.81 -108.55 3 2 2 21 172.316 4
Mid Mid (pH 6-8) 1.78 3.59 -36.42 2 2 1 20 171.308 4
Mid Mid (pH 6-8) 1.78 4.37 -31.28 2 2 1 16 171.308 4

Activity (Go SEA)

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