UCSF

ZINC42610628

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2010 19 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) 1.02 6.49 -36.71 1 6 0 76 268.313 8
Mid Mid (pH 6-8) 1.02 5.73 -54.62 0 6 -1 75 267.305 8

Activity (Go SEA)

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