UCSF

ZINC36633910

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 22 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) 0.78 6.43 -45.58 1 5 1 45 306.361 3
Mid Mid (pH 6-8) 0.78 4.17 -10.84 0 5 0 44 305.353 3
Mid Mid (pH 6-8) 0.78 6.37 -48.55 1 5 1 45 306.361 3
Mid Mid (pH 6-8) 0.78 3.9 -11.09 0 5 0 44 305.353 3

Activity (Go SEA)

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