UCSF

ZINC09358311

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 32 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) 4.26 12.26 -72.22 1 6 0 74 456.97 9
Hi High (pH 8-9.5) 4.26 9.73 -54.74 0 6 -1 73 455.962 9
Mid Mid (pH 6-8) 4.71 11.31 -44.54 2 6 1 71 457.978 8

Activity (Go SEA)

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