UCSF

ZINC01763115

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2005 24 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) 1.86 0.93 -15 1 6 0 76 333.384 7
Mid Mid (pH 6-8) 1.28 0.7 -25.61 0 6 0 72 333.384 7

Activity (Go SEA)

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