UCSF

ZINC35305002

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 18 No

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) -3.06 6.72 -54.9 1 7 0 112 252.274 8
Hi High (pH 8-9.5) -3.06 4.52 -59.67 0 7 -1 111 251.266 8

Activity (Go SEA)

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