UCSF

ZINC36984437

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 1.36 -0.18 -34.22 4 4 1 66 213.301 3
Hi High (pH 8-9.5) 1.36 -1.35 -10.19 3 4 0 61 212.293 3

Activity (Go SEA)

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