UCSF

ZINC36883909

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 15 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) 0.77 4.01 -96.65 4 3 2 35 213.369 5
Hi High (pH 8-9.5) 0.77 1.73 -42.19 3 3 1 34 212.361 5
Mid Mid (pH 6-8) 0.77 3.49 -120.19 4 3 2 35 213.369 5

Activity (Go SEA)

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