UCSF

ZINC02598958

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2004 11 Yes

Other Names:

MFCD04114095

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) 0.77 2.05 -35.79 3 4 0 80 172.571 1
Mid Mid (pH 6-8) 0.77 1.64 -51.57 2 4 -1 79 171.563 1

Activity (Go SEA)

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