UCSF

ZINC32551005

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2009 18 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) 0.22 2.31 -12.56 3 5 0 81 242.282 4
Mid Mid (pH 6-8) 0.22 2.7 -36.25 4 5 1 82 243.29 4
Lo Low (pH 4.5-6) 0.22 3.05 -83.64 5 5 2 83 244.298 4

Activity (Go SEA)

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