UCSF

ZINC39946911

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2010 31 No

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) -4.33 -5.04 -438.78 2 18 -5 283 502.142 8
Mid Mid (pH 6-8) -4.33 -6.19 -291.46 3 18 -4 280 503.15 8

Activity (Go SEA)

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