UCSF

ZINC20309117

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 34 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) 3.60 11.12 -85.42 2 7 0 94 460.53 8
Mid Mid (pH 6-8) 3.60 11.97 -147.16 1 7 -1 97 459.522 8

Activity (Go SEA)

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