UCSF

ZINC00818693

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 29 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) 0.70 -4.18 -17.53 3 9 0 126 395.419 4
Ref Reference (pH 7) 0.70 2.09 -20.43 3 9 0 127 395.419 4
Lo Low (pH 4.5-6) 0.70 3.03 -67.44 4 9 1 128 396.427 4

Activity (Go SEA)

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