UCSF

ZINC08779477

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 32 No

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) 1.52 2.17 -53.61 2 9 1 102 445.492 9
Mid Mid (pH 6-8) 0.93 2.16 -63.26 1 9 1 99 445.492 9

Activity (Go SEA)

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