UCSF

ZINC32594522

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2009 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) 2.32 7.26 -27.17 1 8 0 109 361.408 4
Mid Mid (pH 6-8) 2.32 8.38 -43.85 2 8 1 111 362.416 4

Activity (Go SEA)

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