UCSF

ZINC34675420

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 32 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) 2.90 9.43 -13.6 1 6 0 62 437.584 10
Mid Mid (pH 6-8) 2.90 11.7 -50.97 2 6 1 63 438.592 10

Activity (Go SEA)

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