UCSF

ZINC34992576

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 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) 5.64 10.04 -45.52 2 2 1 26 434.579 5
Mid Mid (pH 6-8) 5.64 8.92 -4.24 1 2 0 21 433.571 5

Activity (Go SEA)

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