UCSF

ZINC31848698

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2009 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.29 8.64 -22.06 2 6 0 88 408.508 5
Mid Mid (pH 6-8) 4.29 9.13 -18.86 2 6 0 88 408.508 5
Mid Mid (pH 6-8) 4.75 7.4 -52.93 1 6 -1 91 407.5 5

Activity (Go SEA)

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