UCSF

ZINC31960276

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 15 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) -0.62 2.55 -7.25 2 4 0 63 204.229 2
Mid Mid (pH 6-8) -0.62 2.86 -58.14 3 4 1 65 205.237 2
Mid Mid (pH 6-8) -0.62 2.6 -8.65 2 4 0 63 204.229 2

Activity (Go SEA)

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