UCSF

ZINC78787774

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2012 22 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) 1.34 8.93 -51.13 1 5 1 51 305.398 5
Hi High (pH 8-9.5) 1.34 6.47 -12.84 0 5 0 50 304.39 5

Activity (Go SEA)

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