UCSF

ZINC02715368

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2004 30 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) 3.23 9.64 -22.35 0 7 0 81 421.478 5
Ref Reference (pH 7) 5.29 5.46 -15.8 2 7 0 89 421.478 5
Hi High (pH 8-9.5) 5.29 6.24 -66.33 1 7 -1 92 420.47 5

Activity (Go SEA)

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