UCSF

ZINC00292300

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 22 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) 3.22 4.03 -9.27 3 4 0 79 316.719 1
Hi High (pH 8-9.5) 3.22 4.79 -39.06 2 4 -1 82 315.711 1

Activity (Go SEA)

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