UCSF

ZINC27564222

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2009 27 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) -0.59 4.8 -108.47 3 7 0 94 374.416 5
Mid Mid (pH 6-8) -0.59 6.74 -145.11 5 7 2 96 376.432 5
Mid Mid (pH 6-8) -3.34 3.84 -78.57 4 7 1 97 375.424 4
Mid Mid (pH 6-8) -0.59 6.15 -192.76 4 7 1 99 375.424 5

Activity (Go SEA)

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