UCSF

ZINC31934883

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 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) 1.75 7.16 -23.3 1 7 0 90 333.369 8
Hi High (pH 8-9.5) 1.93 6.08 -37.53 0 7 -1 97 332.361 8

Activity (Go SEA)

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