UCSF

ZINC00594138

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 27 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) 2.09 1.36 -19.32 0 9 0 96 361.365 4
Mid Mid (pH 6-8) 2.09 1.59 -37.88 1 9 1 97 362.373 4

Activity (Go SEA)

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