UCSF

ZINC13764047

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 29 Yes

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) 7.18 15.3 -9.42 1 2 0 29 372.471 4
Ref Reference (pH 7) 7.18 15.23 -9.43 1 2 0 29 372.471 4
Mid Mid (pH 6-8) 7.18 15.76 -27.78 2 2 1 30 373.479 4
Mid Mid (pH 6-8) 7.18 15.76 -27.83 2 2 1 30 373.479 4

Activity (Go SEA)

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