UCSF

ZINC02847184

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2004 29 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) 4.95 14.42 -15.99 0 5 0 52 380.451 4
Mid Mid (pH 6-8) 4.95 15.8 -48.89 2 5 1 56 381.459 4
Lo Low (pH 4.5-6) 4.95 14.76 -38.34 1 5 1 54 381.459 4

Activity (Go SEA)

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