UCSF

ZINC02790937

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 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) 3.05 9.17 -12.88 1 4 0 47 312.394 3
Mid Mid (pH 6-8) 3.78 8.9 -43.88 0 4 -1 44 311.386 3

Activity (Go SEA)

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