UCSF

ZINC33766347

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 34 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) 2.12 9.64 -54.28 0 8 -1 101 459.478 8
Lo Low (pH 4.5-6) 2.12 8.34 -22.17 1 8 0 98 460.486 8

Activity (Go SEA)

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