UCSF

ZINC00899558

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 19 Yes

CAS Number: 33716-82-4

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) 3.50 3.04 -8.12 2 4 0 59 260.289 3
Hi High (pH 8-9.5) 3.50 3.94 -50.08 1 4 -1 62 259.281 3

Activity (Go SEA)

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