UCSF

ZINC09089561

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 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) 4.19 10.75 -59.62 0 4 -1 60 372.375 4
Mid Mid (pH 6-8) 4.19 10.71 -12.24 1 4 0 58 373.383 4
Mid Mid (pH 6-8) 3.61 11.1 -9.53 0 4 0 54 373.383 4

Activity (Go SEA)

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