UCSF

ZINC34668423

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 30 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) 1.63 10.01 -58.34 1 7 1 61 415.489 4
Mid Mid (pH 6-8) 1.63 7.86 -14.57 0 7 0 60 414.481 4

Activity (Go SEA)

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