UCSF

ZINC00810691

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2005 28 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) 1.19 5.11 -71.28 4 7 1 114 402.496 8
Mid Mid (pH 6-8) 1.19 3.84 -16.85 3 7 0 110 401.488 8

Activity (Go SEA)

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