UCSF

ZINC16599754

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2008 31 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) 3.91 9.11 -51.21 3 6 1 80 438.573 8
Hi High (pH 8-9.5) 3.91 6.6 -56.8 1 6 -1 81 436.557 8
Mid Mid (pH 6-8) 3.91 6.58 -15.21 2 6 0 79 437.565 8
Mid Mid (pH 6-8) 3.91 9.13 -81.49 2 6 0 82 437.565 8

Activity (Go SEA)

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