UCSF

ZINC34686041

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 33 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) 1.23 6.21 -22.01 0 8 0 72 455.486 4
Mid Mid (pH 6-8) 1.23 8.37 -58.17 1 8 1 73 456.494 4

Activity (Go SEA)

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