UCSF

ZINC36766880

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.64 10.14 -57.7 0 3 -1 49 311.401 4
Lo Low (pH 4.5-6) 4.64 9.54 -7.99 1 3 0 47 312.409 4

Activity (Go SEA)

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