UCSF

ZINC23371559

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 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) 4.14 8.09 -56.61 0 6 -1 87 383.449 7
Mid Mid (pH 6-8) 4.14 8.63 -41.19 1 6 0 89 384.457 7
Lo Low (pH 4.5-6) 4.14 8.07 -14.85 1 6 0 85 384.457 7

Activity (Go SEA)

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