UCSF

ZINC64858076

Substance Information

In ZINC since Heavy atoms Benign functionality
June 27th, 2011 27 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) 4.38 9.23 -51 2 4 -1 81 389.434 15
Lo Low (pH 4.5-6) 4.38 7.25 -11.68 3 4 0 78 390.442 15

Activity (Go SEA)

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