UCSF

ZINC13720965

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 32 Yes

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) 3.31 8.16 -58.57 1 7 1 66 437.516 6
Hi High (pH 8-9.5) 3.31 5.25 -14.46 0 7 0 64 436.508 6
Mid Mid (pH 6-8) 3.31 7.37 -51.35 1 7 1 66 437.516 6
Lo Low (pH 4.5-6) 3.31 10.22 -130.38 2 7 2 67 438.524 6

Activity (Go SEA)

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