UCSF

ZINC37045390

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 0.06 1.9 -55.77 4 6 1 88 268.337 7
Hi High (pH 8-9.5) 0.06 1.57 -13.71 3 6 0 86 267.329 7

Activity (Go SEA)

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