UCSF

ZINC33820221

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2009 22 Yes

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) 7.56 15.28 -43.21 0 2 -1 40 311.53 16
Lo Low (pH 4.5-6) 7.56 13.31 -4.81 1 2 0 37 312.538 16

Activity (Go SEA)

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