UCSF

ZINC04312412

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 3.73 8.55 -52.91 0 4 -1 60 361.204 3
Mid Mid (pH 6-8) 4.18 0.55 -17.81 1 4 0 57 362.212 2
Mid Mid (pH 6-8) 3.15 0.02 -9.48 0 4 0 54 362.212 3

Activity (Go SEA)

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