UCSF

ZINC13372400

Substance Information

In ZINC since Heavy atoms Benign functionality
June 17th, 2008 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) 1.27 -1.81 -47.72 4 7 -1 125 360.349 2
Mid Mid (pH 6-8) 1.08 0.73 -15.2 5 7 0 118 361.357 2
Mid Mid (pH 6-8) 1.08 -0.06 -14.16 5 7 0 118 361.357 2
Mid Mid (pH 6-8) 1.08 0.73 -15.06 5 7 0 118 361.357 2

Activity (Go SEA)

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