UCSF

ZINC13544864

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 29 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) 3.20 7.24 -59.64 2 8 -1 124 460.26 7
Mid Mid (pH 6-8) 3.66 4.64 -96.95 1 8 -2 127 459.252 7

Activity (Go SEA)

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