UCSF

ZINC13527796

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 14 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) 1.02 6.62 -128.25 0 4 -2 80 192.17 3
Mid Mid (pH 6-8) 1.02 4.65 -47.6 1 4 -1 77 193.178 3

Activity (Go SEA)

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