UCSF

ZINC28714126

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2009 20 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) 2.29 2.83 -19.03 3 5 0 87 274.272 4
Hi High (pH 8-9.5) 2.29 4.25 -127.13 1 5 -2 93 272.256 4
Mid Mid (pH 6-8) 2.29 3.44 -50.7 2 5 -1 90 273.264 4

Activity (Go SEA)

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