UCSF

ZINC00098116

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 26 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) 2.74 11.27 -23.99 1 6 0 72 345.406 3
Mid Mid (pH 6-8) 2.74 12.64 -49.42 3 6 1 76 346.414 3
Lo Low (pH 4.5-6) 2.74 11.62 -36.53 2 6 1 74 346.414 3

Activity (Go SEA)

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