UCSF

ZINC34677975

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 32 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) 2.35 7.29 -54.14 2 9 1 109 436.492 8
Mid Mid (pH 6-8) 2.35 7.24 -59.17 2 9 1 109 436.492 8
Mid Mid (pH 6-8) 2.35 4.99 -12.15 1 9 0 107 435.484 8

Activity (Go SEA)

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