UCSF

ZINC33763496

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 34 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) 0.95 4.98 -58.36 1 9 -1 115 466.514 9
Mid Mid (pH 6-8) 0.95 7.3 -78.4 2 9 0 116 467.522 9
Lo Low (pH 4.5-6) 0.95 6.01 -65.38 3 9 1 114 468.53 9

Activity (Go SEA)

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