UCSF

ZINC00593095

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.89 -4.39 -23.4 3 7 0 110 406.449 4
Mid Mid (pH 6-8) 2.89 -4.19 -45.16 4 7 1 111 407.457 4
Lo Low (pH 4.5-6) 2.89 -4.11 -104.55 5 7 2 112 408.465 4
Lo Low (pH 4.5-6) 2.89 -4.32 -39.41 4 7 1 111 407.457 4

Activity (Go SEA)

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