UCSF

ZINC29059697

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 31 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) 3.90 12.48 -55.93 1 5 1 41 426.577 8
Hi High (pH 8-9.5) 3.90 10.11 -11.99 0 5 0 40 425.569 8

Activity (Go SEA)

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