UCSF

ZINC01117527

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 32 No

Other Names:

MFCD03717007

Download: MOL2 SDF SMILES Flexibase

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) 2.56 7.81 -60.32 0 8 -1 101 454.48 8
Lo Low (pH 4.5-6) 2.56 6.92 -17.59 1 8 0 98 455.488 8

Activity (Go SEA)

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