UCSF

ZINC02005674

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 22 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) 3.60 6.97 -7.72 1 3 0 41 312.8 2
Mid Mid (pH 6-8) 3.60 7.79 -28.24 2 3 1 43 313.808 2

Activity (Go SEA)

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