UCSF

ZINC20677953

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 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) 3.29 11.04 -49.28 2 7 1 64 436.58 8
Mid Mid (pH 6-8) 3.29 11 -50.55 2 7 1 64 436.58 8
Mid Mid (pH 6-8) 3.29 8.67 -17.69 1 7 0 63 435.572 8
Mid Mid (pH 6-8) 3.29 11.44 -100.82 3 7 2 65 437.588 8

Activity (Go SEA)

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