UCSF

ZINC21005384

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 21 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) 1.98 5.53 -52.65 2 6 -1 98 291.327 8
Lo Low (pH 4.5-6) 1.98 4.41 -18.49 3 6 0 95 292.335 8

Activity (Go SEA)

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