UCSF

ZINC06355372

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2006 36 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) 4.15 11.19 -61.89 0 8 -1 101 490.532 11
Mid Mid (pH 6-8) 4.60 3.19 -27.3 1 8 0 98 491.54 10
Mid Mid (pH 6-8) 3.57 3.5 -19.51 0 8 0 95 491.54 11

Activity (Go SEA)

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