UCSF

ZINC40094220

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 36 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 6.84 13.87 -58.06 0 6 -1 79 492.636 13
Lo Low (pH 4.5-6) 6.84 13.12 -12.08 1 6 0 76 493.644 13

Activity (Go SEA)

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