UCSF

ZINC36786527

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 21 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) 2.58 6.26 -43.17 4 5 1 72 307.443 5
Mid Mid (pH 6-8) 2.39 5.43 -38.41 3 5 0 79 306.435 5

Activity (Go SEA)

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