UCSF

ZINC04384181

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2005 28 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) 1.83 2.2 -49.95 1 9 1 92 392.48 6
Mid Mid (pH 6-8) 1.83 2.41 -126.21 2 9 2 93 393.488 6

Activity (Go SEA)

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