UCSF

ZINC31960984

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -0.53 -0.55 -53.93 5 7 1 94 308.406 8
Mid Mid (pH 6-8) -0.53 -0.08 -95.42 6 7 2 95 309.414 8
Mid Mid (pH 6-8) -0.53 1.79 -97.97 6 7 2 95 309.414 8
Lo Low (pH 4.5-6) -0.53 2.25 -166.22 7 7 3 97 310.422 8

Activity (Go SEA)

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