UCSF

ZINC34242603

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2009 23 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) 0.93 -0.56 -55.47 4 6 1 87 317.365 0
Hi High (pH 8-9.5) 0.93 -2.81 -11.3 3 6 0 86 316.357 0

Activity (Go SEA)

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