UCSF

ZINC09065904

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 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) 1.63 6.71 -59.2 0 7 -1 86 440.545 7
Mid Mid (pH 6-8) 2.08 9.24 -47.35 2 7 1 84 442.561 6
Mid Mid (pH 6-8) 1.63 9.04 -77.74 1 7 0 87 441.553 7

Activity (Go SEA)

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