UCSF

ZINC21799994

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 27 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) 3.36 7.93 -24.16 1 6 0 59 364.449 4
Mid Mid (pH 6-8) 3.36 10.15 -58.17 2 6 1 61 365.457 4
Mid Mid (pH 6-8) 3.36 8.34 -33.17 2 6 1 61 365.457 4
Lo Low (pH 4.5-6) 3.36 10.56 -107.21 3 6 2 62 366.465 4

Activity (Go SEA)

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