UCSF

ZINC13555632

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 26 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) 2.14 2.18 -11.69 2 7 0 87 363.458 5
Mid Mid (pH 6-8) 2.14 4.45 -48.53 3 7 1 89 364.466 5

Activity (Go SEA)

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