UCSF

ZINC00732225

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 20 No

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) 2.31 7.34 -19.16 0 4 0 48 267.263 3
Lo Low (pH 4.5-6) 2.31 7.79 -39.13 1 4 1 49 268.271 3

Activity (Go SEA)

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