UCSF

ZINC03550406

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 26 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) 3.27 6.43 -21.61 2 7 0 89 370.434 7
Hi High (pH 8-9.5) 3.27 6.27 -53.08 1 7 -1 87 369.426 7

Activity (Go SEA)

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