UCSF

ZINC02393369

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 34 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) 2.95 7.81 -24.41 3 9 0 117 457.49 7
Mid Mid (pH 6-8) 2.95 8.19 -36.12 4 9 1 119 458.498 7

Activity (Go SEA)

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