UCSF

ZINC34677039

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 29 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) 1.01 2.93 -95.5 4 8 2 87 409.575 9
Mid Mid (pH 6-8) 1.01 0.64 -40.9 3 8 1 86 408.567 9

Activity (Go SEA)

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