UCSF

ZINC16741871

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 31 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) 1.98 8.15 -62.02 0 7 -1 86 421.473 8
Mid Mid (pH 6-8) 1.98 9.35 -65.45 2 7 1 84 423.489 7
Mid Mid (pH 6-8) 1.39 10.36 -60.51 1 7 1 81 423.489 8
Mid Mid (pH 6-8) 1.98 10.47 -77.14 1 7 0 87 422.481 8

Activity (Go SEA)

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