UCSF

ZINC36125770

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.10 8.88 -11.6 0 3 0 24 324.399 2
Mid Mid (pH 6-8) 3.10 11.02 -51.11 1 3 1 25 325.407 2

Activity (Go SEA)

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