UCSF

ZINC09043397

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 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) 2.19 7.21 -54.67 0 9 -1 119 436.444 7
Mid Mid (pH 6-8) 2.64 9 -50.95 2 9 1 117 438.46 6
Mid Mid (pH 6-8) 2.19 9.56 -70.99 1 9 0 120 437.452 7

Activity (Go SEA)

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