UCSF

ZINC09360931

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 35 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) 3.51 9.13 -59.95 0 9 -1 118 493.517 8
Mid Mid (pH 6-8) 2.93 0.5 -14.94 0 9 0 112 494.525 8
Mid Mid (pH 6-8) 3.96 9.06 -23.15 1 9 0 115 494.525 7

Activity (Go SEA)

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