UCSF

ZINC33813306

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 36 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) 3.08 10.76 -66.5 2 9 0 116 497.592 12
Hi High (pH 8-9.5) 3.08 9.48 -56.8 1 9 -1 115 496.584 12
Lo Low (pH 4.5-6) 3.08 10.4 -51.93 3 9 1 113 498.6 12

Activity (Go SEA)

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