UCSF

ZINC09302162

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 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) 2.60 9.18 -69.24 2 8 0 107 459.93 8
Hi High (pH 8-9.5) 2.60 6.7 -55.95 1 8 -1 106 458.922 8
Mid Mid (pH 6-8) 3.04 10.19 -55.47 3 8 1 104 460.938 7

Activity (Go SEA)

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