UCSF

ZINC00266888

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 20 Yes

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) 3.74 11.01 -53.62 0 4 -1 58 265.292 3
Lo Low (pH 4.5-6) 3.74 11.49 -53.93 1 4 0 59 266.3 3

Activity (Go SEA)

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