UCSF

ZINC03649697

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 28 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) 3.81 8.27 -33.76 2 6 1 65 378.452 4
Mid Mid (pH 6-8) 3.81 7.96 -15.46 1 6 0 64 377.444 4

Activity (Go SEA)

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