UCSF

ZINC34865325

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 28 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) 0.81 2.97 -60.18 5 8 1 116 386.428 6
Hi High (pH 8-9.5) 0.81 3.86 -58.58 3 8 -1 117 384.412 6
Mid Mid (pH 6-8) 0.81 2.66 -19.24 4 8 0 114 385.42 6

Activity (Go SEA)

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