UCSF

ZINC20214670

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 32 Yes

CAS Number:

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) 4.65 13.07 -22.21 1 6 0 77 452.624 8
Lo Low (pH 4.5-6) 4.65 13.18 -47.1 2 6 1 78 453.632 8

Activity (Go SEA)

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