UCSF

ZINC36125575

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 23 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) 3.64 8.32 -7.86 0 4 0 33 318.461 6
Mid Mid (pH 6-8) 3.64 9.91 -42.97 1 4 1 34 319.469 6

Activity (Go SEA)

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