UCSF

ZINC08606584

Substance Information

In ZINC since Heavy atoms Benign functionality
June 15th, 2007 32 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) 2.88 4.78 -19.41 3 8 0 108 437.496 8
Mid Mid (pH 6-8) 2.88 5.55 -59.49 2 8 -1 111 436.488 8

Activity (Go SEA)

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