UCSF

ZINC00095934

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 21 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) 3.91 8.16 -8.63 1 3 0 42 299.757 2
Hi High (pH 8-9.5) 3.91 9.05 -56.53 0 3 -1 45 298.749 2

Activity (Go SEA)

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